Compound details

Lagumicine

Compound ID	CDAMM02567
Common name	Lagumicine
IUPAC name	methyl 12-acetyl-12-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Molecular formula	C₂₀H₂₂N₂O₄

Experimental data

Retention time	4.07
Adduct	[M+H]+
Actual mz	355.164
Theoretical mz	355.165
Error	3.31
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.8036

Identifiers and class information

Inchi key	KTEDEOXQNICGRJ-DCMZKIDVNA-N
Smiles	O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC(O)(C(=O)C)C1CC54
Superclass	Alkaloids and derivatives
Class	Strychnos alkaloids

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID
KNApSAcK ID	C00027061
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	550468
PlantCyc ID
UNPD ID	UNPD47135
Coconut ID	CNP0237440
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	1
Number of amidine and guanidine groups (#amidine)	0
Number of carboxylic acid groups (#acid)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	3
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	1
Molecular weight (mol_MW)	354.405
Computed dipole moment(dipole)	4.812
Total solvent accessible surface area (SASA)	576.166
Hydrophobic component of SASA (FOSA)	316.174
Hydrophilic component of SASA (FISA)	102.131
Pie component of the SASA (PISA)	157.86
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1063.29
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	5.75
Free energy of solvation of dipole (dip^2/V)	0.0217733
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0099798
Globularity descriptor (glob)	0.874418
Predicted polarizability in cubic angstroms (QPpolrz)	35.98
Predicted hexadecane/gas partition coefficient (QPlogPC16)	10.238
Predicted octanol/gas partition coefficient (QPlogPoct)	16.538
Predicted water/gas partition coefficient (QPlogPw)	9.341
Predicted octanol/water partition coefficient (QPlogPo/w)	2.526
Predicted aqueous solubility (QPlogS)	-3.013
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.637
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.043
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	265.639
Predicted brain/blood partition coefficient (QPlogBB)	-0.109
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	130.604
Predicted skin permeability, log Kp (QPlogKp)	-4.62
PM3 calculated ionization potential (IP(ev))	8.242
PM3 calculated electron affinity (EA(eV))	0.284
Number of likely metabolic reactions (#metab)	2
Prediction of binding to human serum albumin (QPlogKhsa)	0.287
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	85.123
Solvent-accessible surface area of fluorine atoms (SAFluorine)	0
Solvent-accessible surface area of amide oxygen atoms (SAamideO)	0
Van der Waals surface area (PSA)	85.907
Number of nitrogen and oxygen atoms (#NandO)	6
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
Number of violations of Jorgensen’s rule of three (RuleOfThree)	0

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
Q9Y5N1	HRH3	Histamine H3 receptor	T64765	SwissTargetPrediction
P08173	CHRM4	Muscarinic acetylcholine receptor M4	T20709	SwissTargetPrediction
P08912	CHRM5	Muscarinic acetylcholine receptor M5	T79961	SwissTargetPrediction
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
Q12809	KCNH2	HERG	T20251	SwissTargetPrediction
P20309	CHRM3	Muscarinic acetylcholine receptor M3	T67684	SwissTargetPrediction
P10635	CYP2D6	Cytochrome P450 2D6	T57392	SwissTargetPrediction
P29475	NOS1	Nitric-oxide synthase, brain	T16117	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
Q99720	SIGMAR1	Sigma opioid receptor	T46360	SwissTargetPrediction
Q96KS0	EIT6	HIF-prolyl hydroxylase 1	T53904	SwissTargetPrediction
P00734	F2	Thrombin	T94033	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P21397	MAOA	Monoamine oxidase A	T83875	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P98170	XIAP	Inhibitor of apoptosis protein 3	T16769	SwissTargetPrediction
P55210	CASP7	Caspase-7	T72252	SwissTargetPrediction
O60341	KDM1A	Lysine-specific histone demethylase 1	T16739	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction
P28335	HTR2C	Serotonin 2c (5-HT2c) receptor	T83813	SwissTargetPrediction
P41595	HTR2B	Serotonin 2b (5-HT2b) receptor	T31204	SwissTargetPrediction
P08913	ADRA2A	Alpha-2a adrenergic receptor	T11448	SwissTargetPrediction
P28222	HTR1B	Serotonin 1b (5-HT1b) receptor	T07806	SwissTargetPrediction
P08588	ADRB1	Beta-1 adrenergic receptor	T44068	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
P34969	HTR7	Serotonin 7 (5-HT7) receptor	T79062	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P11086	PNMT	Phenylethanolamine N-methyltransferase	T56496	SwissTargetPrediction
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
P12955	PEPD	Xaa-Pro dipeptidase	T94823	SwissTargetPrediction
Q9H3N8	HRH4	Histamine H4 receptor	T26500	SwissTargetPrediction
P14902	IDO1	Indoleamine 2,3-dioxygenase	T89697	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P07550	ADRB2	Adrenergic receptor beta	T52522	SwissTargetPrediction
P23975	SLC6A2	Norepinephrine transporter	T21945	SwissTargetPrediction
P13945	ADRB3	Beta-3 adrenergic receptor	T51408	SwissTargetPrediction
Q13639	HTR4	Serotonin 4 (5-HT4) receptor	T59679	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
Q13489	BIRC3	Baculoviral IAP repeat-containing protein 3	T35173	SwissTargetPrediction
Q13490	BIRC2	Baculoviral IAP repeat-containing protein 2	T84780	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	SwissTargetPrediction
Q13418	ILK	Serine/threonine-protein kinase ILK-1	T13616	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
Q14432	PDE3A	Phosphodiesterase 3	T88975	SwissTargetPrediction
P29466	CASP1	Caspase-1	T98269	SwissTargetPrediction
Q12884	FAP	Fibroblast activation protein alpha (by homology)	T53764	SwissTargetPrediction
P18089	ADRA2B	Alpha-2b adrenergic receptor	T41580	SwissTargetPrediction
P50579	METAP2	Methionine aminopeptidase 2	T75596	SwissTargetPrediction
O00311	CDC7	CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)	T81358	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P41146	OPRL1	Nociceptin receptor	T52921	SwissTargetPrediction
Q9UQ81	MCH5	Caspase-8	T15700	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
Q13976	PRKG1	cGMP-dependent protein kinase 1 beta	T78543	SwissTargetPrediction
Q04759	PRKCQ	Protein kinase C theta	T23995	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
P48067	SLC6A9	Glycine transporter 1	T69685	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
Q14524	SCN5A	Sodium channel protein type V alpha subunit	T39716	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
P07948	LYN	Tyrosine-protein kinase Lyn	T68163	SwissTargetPrediction
Q99873	PRMT1	Protein-arginine N-methyltransferase 1	T16808	SwissTargetPrediction
P43403	ZAP70	Tyrosine-protein kinase ZAP-70	T64553	SwissTargetPrediction
Q13224	GRIN2B	Glutamate [NMDA] receptor subunit epsilon 2	T76414	SwissTargetPrediction
P63316	TNNC1	Troponin, cardiac muscle	T12966	SwissTargetPrediction
Q13126	MTAP	S-methyl-5-thioadenosine phosphorylase	T40787	SwissTargetPrediction
P53634	CTSC	Dipeptidyl peptidase I	T70490	SwissTargetPrediction
Q15119	PDK2	Pyruvate dehydrogenase kinase isoform 2	T17967	SEA
Q9HCR9	PDE11A	Phosphodiesterase 11A	T99802	SwissTargetPrediction
Q8NET8	TRPV3	Transient receptor potential cation channel subfamily V member 3	T58496	SwissTargetPrediction
Q96PY6	NEK1	Serine/threonine-protein kinase Nek1	T43031	SwissTargetPrediction
Q9UIF9	BAZ2A	Bromodomain adjacent to zinc finger domain protein 2A	T95682	SwissTargetPrediction
O43895	XPNPEP2	Xaa-Pro aminopeptidase 2	T68320	SwissTargetPrediction
Q9UIF8	BAZ2B	Bromodomain adjacent to zinc finger domain protein 2B	T15745	SwissTargetPrediction
Q969V1	MCHR2	Melanin-concentrating hormone receptor	T70539	SEA
Q9GZT9	EGLN1	Egl nine homolog 1	T32880	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T64765	DI0392	Somnolence	[ICD-11: MG42]	Q9Y5N1	HRH3
T20709	DI0037	Asthma	[ICD-11: CA23]	P08173	CHRM4
T20709	DI0141	Eye anterior segment structural developmental anomaly	[ICD-11: LA11]	P08173	CHRM4
T20709	DI0166	Glaucoma	[ICD-11: 9C61]	P08173	CHRM4
T20709	DI0293	Nausea/vomiting	[ICD-11: MD90]	P08173	CHRM4
T20709	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08173	CHRM4
T79961	DI0002	Abnormal micturition	[ICD-11: MF50]	P08912	CHRM5
T79961	DI0032	Anterior uveitis	[ICD-11: 9A96]	P08912	CHRM5
T79961	DI0034	Appearance/behaviour symptom	[ICD-11: MB23]	P08912	CHRM5
T79961	DI0037	Asthma	[ICD-11: CA23]	P08912	CHRM5
T79961	DI0061	Brain disease	[ICD-11: 8C70-8E61]	P08912	CHRM5
T79961	DI0071	Central and peripheral nervous disease	[ICD-11: 8A04-8E7Z]	P08912	CHRM5
T79961	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P08912	CHRM5
T79961	DI0093	Cognition symptoms/signs/clinical symptom	[ICD-11: MB21]	P08912	CHRM5
T79961	DI0105	Cough	[ICD-11: MD12]	P08912	CHRM5
T79961	DI0124	Digestive system disease	[ICD-11: DE2Z]	P08912	CHRM5
T79961	DI0145	Female pelvic pain	[ICD-11: GA34]	P08912	CHRM5
T79961	DI0154	Functional bladder disorder	[ICD-11: GC50]	P08912	CHRM5
T79961	DI0158	Gastritis	[ICD-11: DA42]	P08912	CHRM5
T79961	DI0162	General examination	[ICD-11: QA00]	P08912	CHRM5
T79961	DI0166	Glaucoma	[ICD-11: 9C61]	P08912	CHRM5
T79961	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08912	CHRM5
T79961	DI0208	Infectious gastroenteritis/colitis	[ICD-11: 1A40]	P08912	CHRM5
T79961	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P08912	CHRM5
T79961	DI0307	Nystagmus	[ICD-11: 9C84]	P08912	CHRM5
T79961	DI0315	Oesophagus motility disorder	[ICD-11: DA21]	P08912	CHRM5
T79961	DI0324	Pain	[ICD-11: MG30-MG3Z]	P08912	CHRM5
T79961	DI0329	Pancreatitis	[ICD-11: DC31-DC34]	P08912	CHRM5
T79961	DI0331	Parkinsonism	[ICD-11: 8A00]	P08912	CHRM5
T79961	DI0333	Peptic ulcer	[ICD-11: DA61]	P08912	CHRM5
T79961	DI0338	Polyuria	[ICD-11: MF55]	P08912	CHRM5
T79961	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P08912	CHRM5
T79961	DI0421	Unspecific substance harmful effect	[ICD-11: NE6Z]	P08912	CHRM5
T79961	DI0424	Urgency	[ICD-11: N.A.]	P08912	CHRM5
T59328	DI0030	Angina pectoris	[ICD-11: BA40]	P00533	EGFR
T59328	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00533	EGFR
T59328	DI0095	Colorectal cancer	[ICD-11: 2B91]	P00533	EGFR
T59328	DI0121	Diabetic foot ulcer	[ICD-11: BD54]	P00533	EGFR
T59328	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00533	EGFR
T59328	DI0238	Lung cancer	[ICD-11: 2C25]	P00533	EGFR
T59328	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P00533	EGFR
T59328	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P00533	EGFR
T59328	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P00533	EGFR
T59328	DI0420	Unspecific body region injury	[ICD-11: ND56]	P00533	EGFR
T28893	DI0001	Abdominal pelvic pain	[ICD-11: MD81]	P11229	CHRM1
T28893	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11229	CHRM1
T28893	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P11229	CHRM1
T28893	DI0129	Dystonic disorder	[ICD-11: 8A02]	P11229	CHRM1
T28893	DI0154	Functional bladder disorder	[ICD-11: GC50]	P11229	CHRM1
T28893	DI0157	Gastric ulcer	[ICD-11: DA60]	P11229	CHRM1
T28893	DI0166	Glaucoma	[ICD-11: 9C61]	P11229	CHRM1
T28893	DI0186	Hyperhidrosis	[ICD-11: EE00]	P11229	CHRM1
T28893	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P11229	CHRM1
T28893	DI0331	Parkinsonism	[ICD-11: 8A00]	P11229	CHRM1
T28893	DI0333	Peptic ulcer	[ICD-11: DA61]	P11229	CHRM1
T28893	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P11229	CHRM1
T20251	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q12809	KCNH2
T67684	DI0037	Asthma	[ICD-11: CA23]	P20309	CHRM3
T67684	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P20309	CHRM3
T67684	DI0154	Functional bladder disorder	[ICD-11: GC50]	P20309	CHRM3
T67684	DI0166	Glaucoma	[ICD-11: 9C61]	P20309	CHRM3
T67684	DI0293	Nausea/vomiting	[ICD-11: MD90]	P20309	CHRM3
T67684	DI0333	Peptic ulcer	[ICD-11: DA61]	P20309	CHRM3
T67684	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P20309	CHRM3
T67684	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P20309	CHRM3
T67684	DI0382	Sjogren syndrome	[ICD-11: 4A43]	P20309	CHRM3
T67684	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P20309	CHRM3
T57392	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P10635	CYP2D6
T16117	DI0173	Headache	[ICD-11: 8A80-8A84]	P29475	NOS1
T16117	DI0264	Migraine	[ICD-11: 8A80]	P29475	NOS1
T06273	DI0006	Acquired cutaneous blood vessel malformation	[ICD-11: EF20]	P09874	PARP1
T06273	DI0143	Fallopian tube cancer	[ICD-11: 2C74]	P09874	PARP1
T06273	DI0321	Ovarian cancer	[ICD-11: 2C73]	P09874	PARP1
T06273	DI0334	Peritoneal cancer	[ICD-11: 2C51]	P09874	PARP1
T46360	DI0105	Cough	[ICD-11: MD12]	Q99720	SIGMAR1
T53904	DI0010	Acute disease anaemia	[ICD-11: 3A90]	Q96KS0	EIT6
T94033	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00734	F2
T94033	DI0091	Coagulation defect	[ICD-11: 3B10]	P00734	F2
T94033	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P00734	F2
T94033	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P00734	F2
T94033	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00734	F2
T94033	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00734	F2
T94033	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P00734	F2
T94033	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00734	F2
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T83875	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P21397	MAOA
T83875	DI0331	Parkinsonism	[ICD-11: 8A00]	P21397	MAOA
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T67162	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P14416	DRD2
T67162	DI0025	Alzheimer disease	[ICD-11: 8A20]	P14416	DRD2
T67162	DI0037	Asthma	[ICD-11: CA23]	P14416	DRD2
T67162	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P14416	DRD2
T67162	DI0051	Bipolar disorder	[ICD-11: 6A60]	P14416	DRD2
T67162	DI0063	Breathing abnormality	[ICD-11: MD11]	P14416	DRD2
T67162	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P14416	DRD2
T67162	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P14416	DRD2
T67162	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14416	DRD2
T67162	DI0124	Digestive system disease	[ICD-11: DE2Z]	P14416	DRD2
T67162	DI0137	Essential hypertension	[ICD-11: BA00]	P14416	DRD2
T67162	DI0142	Faecal incontinence	[ICD-11: ME07]	P14416	DRD2
T67162	DI0156	Gangrene	[ICD-11: MC85]	P14416	DRD2
T67162	DI0166	Glaucoma	[ICD-11: 9C61]	P14416	DRD2
T67162	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P14416	DRD2
T67162	DI0185	Hyperaemia	[ICD-11: 9A61-9B7Y]	P14416	DRD2
T67162	DI0190	Hypertension	[ICD-11: BA00-BA04]	P14416	DRD2
T67162	DI0196	Hypotension	[ICD-11: BA20-BA21]	P14416	DRD2
T67162	DI0205	Inborn porphyrin/heme metabolism error	[ICD-11: 5C58]	P14416	DRD2
T67162	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14416	DRD2
T67162	DI0222	Itching	[ICD-11: 1F28-1G07]	P14416	DRD2
T67162	DI0264	Migraine	[ICD-11: 8A80]	P14416	DRD2
T67162	DI0293	Nausea/vomiting	[ICD-11: MD90]	P14416	DRD2
T67162	DI0324	Pain	[ICD-11: MG30-MG3Z]	P14416	DRD2
T67162	DI0331	Parkinsonism	[ICD-11: 8A00]	P14416	DRD2
T67162	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P14416	DRD2
T67162	DI0340	Postpartum haemorrhage	[ICD-11: JA43]	P14416	DRD2
T67162	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P14416	DRD2
T67162	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P14416	DRD2
T67162	DI0370	Schizophrenia	[ICD-11: 6A20]	P14416	DRD2
T67162	DI0396	Substance abuse	[ICD-11: 6C40]	P14416	DRD2
T67162	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P14416	DRD2
T67162	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P14416	DRD2
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T16769	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	P98170	XIAP
T72252	DI0110	Cystic fibrosis	[ICD-11: CA25]	P55210	CASP7
T16739	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O60341	KDM1A
T16739	DI0025	Alzheimer disease	[ICD-11: 8A20]	O60341	KDM1A
T16739	DI0138	Ewing sarcoma	[ICD-11: 2B52]	O60341	KDM1A
T16739	DI0238	Lung cancer	[ICD-11: 2C25]	O60341	KDM1A
T16739	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O60341	KDM1A
T16739	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O60341	KDM1A
T16739	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O60341	KDM1A
T16739	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	O60341	KDM1A
T16739	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O60341	KDM1A
T32060	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P28223	HTR2A
T32060	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P28223	HTR2A
T32060	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P28223	HTR2A
T32060	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	P28223	HTR2A
T32060	DI0331	Parkinsonism	[ICD-11: 8A00]	P28223	HTR2A
T32060	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28223	HTR2A
T32060	DI0370	Schizophrenia	[ICD-11: 6A20]	P28223	HTR2A
T83813	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P28335	HTR2C
T83813	DI0264	Migraine	[ICD-11: 8A80]	P28335	HTR2C
T83813	DI0308	Obesity	[ICD-11: 5B80-5B81]	P28335	HTR2C
T83813	DI0324	Pain	[ICD-11: MG30-MG3Z]	P28335	HTR2C
T83813	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28335	HTR2C
T31204	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P41595	HTR2B
T31204	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P41595	HTR2B
T31204	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P41595	HTR2B
T31204	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P41595	HTR2B
T11448	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P08913	ADRA2A
T11448	DI0317	Opioid use disorder	[ICD-11: 6C43]	P08913	ADRA2A
T11448	DI0396	Substance abuse	[ICD-11: 6C40]	P08913	ADRA2A
T07806	DI0264	Migraine	[ICD-11: 8A80]	P28222	HTR1B
T07806	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28222	HTR1B
T07806	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P28222	HTR1B
T07806	DI0370	Schizophrenia	[ICD-11: 6A20]	P28222	HTR1B
T44068	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P08588	ADRB1
T44068	DI0037	Asthma	[ICD-11: CA23]	P08588	ADRB1
T44068	DI0068	Cardiac arrhythmia	[ICD-11: BC9Z]	P08588	ADRB1
T44068	DI0071	Central and peripheral nervous disease	[ICD-11: 8A04-8E7Z]	P08588	ADRB1
T44068	DI0088	Circulatory system disease	[ICD-11: BE2Z]	P08588	ADRB1
T44068	DI0097	Conduction disorder	[ICD-11: BC63]	P08588	ADRB1
T44068	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P08588	ADRB1
T44068	DI0137	Essential hypertension	[ICD-11: BA00]	P08588	ADRB1
T44068	DI0166	Glaucoma	[ICD-11: 9C61]	P08588	ADRB1
T44068	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08588	ADRB1
T44068	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08588	ADRB1
T44068	DI0264	Migraine	[ICD-11: 8A80]	P08588	ADRB1
T44068	DI0375	Sepsis	[ICD-11: 1G40-1G41]	P08588	ADRB1
T44068	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P08588	ADRB1
T44068	DI0434	Ventricular tachyarrhythmia	[ICD-11: BC71]	P08588	ADRB1
T78709	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P08908	HTR1A
T78709	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P08908	HTR1A
T78709	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08908	HTR1A
T78709	DI0264	Migraine	[ICD-11: 8A80]	P08908	HTR1A
T78709	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	P08908	HTR1A
T79062	DI0025	Alzheimer disease	[ICD-11: 8A20]	P34969	HTR7
T79062	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P34969	HTR7
T79062	DI0051	Bipolar disorder	[ICD-11: 6A60]	P34969	HTR7
T79062	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P34969	HTR7
T79062	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P34969	HTR7
T79062	DI0331	Parkinsonism	[ICD-11: 8A00]	P34969	HTR7
T79062	DI0370	Schizophrenia	[ICD-11: 6A20]	P34969	HTR7
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T09572	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q99705	MCHR1
T26500	DI0037	Asthma	[ICD-11: CA23]	Q9H3N8	HRH4
T26500	DI0039	Atopic eczema	[ICD-11: EA80]	Q9H3N8	HRH4
T26500	DI0351	Psoriasis	[ICD-11: EA90]	Q9H3N8	HRH4
T26500	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9H3N8	HRH4
T26500	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q9H3N8	HRH4
T89697	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14902	IDO1
T02551	DI0051	Bipolar disorder	[ICD-11: 6A60]	P35462	DRD3
T02551	DI0331	Parkinsonism	[ICD-11: 8A00]	P35462	DRD3
T22118	DI0003	Abortion	[ICD-11: JA00]	P21728	DRD1
T22118	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21728	DRD1
T22118	DI0190	Hypertension	[ICD-11: BA00-BA04]	P21728	DRD1
T22118	DI0331	Parkinsonism	[ICD-11: 8A00]	P21728	DRD1
T52522	DI0037	Asthma	[ICD-11: CA23]	P07550	ADRB2
T52522	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P07550	ADRB2
T52522	DI0097	Conduction disorder	[ICD-11: BC63]	P07550	ADRB2
T52522	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P07550	ADRB2
T52522	DI0387	Sleep-related breathing disorder	[ICD-11: 7A4Z]	P07550	ADRB2
T21945	DI0013	Acute pain	[ICD-11: MG31]	P23975	SLC6A2
T21945	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P23975	SLC6A2
T21945	DI0087	Chronic pain	[ICD-11: MG30]	P23975	SLC6A2
T21945	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P23975	SLC6A2
T21945	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P23975	SLC6A2
T21945	DI0166	Glaucoma	[ICD-11: 9C61]	P23975	SLC6A2
T21945	DI0264	Migraine	[ICD-11: 8A80]	P23975	SLC6A2
T21945	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	P23975	SLC6A2
T21945	DI0308	Obesity	[ICD-11: 5B80-5B81]	P23975	SLC6A2
T21945	DI0324	Pain	[ICD-11: MG30-MG3Z]	P23975	SLC6A2
T21945	DI0395	Stomach cancer	[ICD-11: 2B72]	P23975	SLC6A2
T51408	DI0030	Angina pectoris	[ICD-11: BA40]	P13945	ADRB3
T51408	DI0037	Asthma	[ICD-11: CA23]	P13945	ADRB3
T51408	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P13945	ADRB3
T51408	DI0129	Dystonic disorder	[ICD-11: 8A02]	P13945	ADRB3
T51408	DI0154	Functional bladder disorder	[ICD-11: GC50]	P13945	ADRB3
T51408	DI0190	Hypertension	[ICD-11: BA00-BA04]	P13945	ADRB3
T51408	DI0331	Parkinsonism	[ICD-11: 8A00]	P13945	ADRB3
T59679	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	Q13639	HTR4
T59679	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q13639	HTR4
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
T53381	DI0166	Glaucoma	[ICD-11: 9C61]	P25100	ADRA1D
T53381	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P25100	ADRA1D
T53381	DI0190	Hypertension	[ICD-11: BA00-BA04]	P25100	ADRA1D
T53381	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P25100	ADRA1D
T53381	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P25100	ADRA1D
T53381	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25100	ADRA1D
T29500	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P35368	ADRA1B
T29500	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35368	ADRA1B
T29500	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P35368	ADRA1B
T29500	DI0308	Obesity	[ICD-11: 5B80-5B81]	P35368	ADRA1B
T29500	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35368	ADRA1B
T60693	DI0304	Non-specific cutaneous vascular symptom	[ICD-11: ME64]	P41145	OPRK1
T60693	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41145	OPRK1
T60693	DI0349	Pruritus	[ICD-11: EC90]	P41145	OPRK1
T14597	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P04626	ERBB2
T14597	DI0238	Lung cancer	[ICD-11: 2C25]	P04626	ERBB2
T14597	DI0346	Prostate cancer	[ICD-11: 2C82]	P04626	ERBB2
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
T08391	DI0039	Atopic eczema	[ICD-11: EA80]	O60674	JAK2
T08391	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	O60674	JAK2
T08391	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	O60674	JAK2
T08391	DI0404	Thrombocytosis	[ICD-11: 3B63]	O60674	JAK2
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T84133	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q9Y233	PDE10A
T84133	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	Q9Y233	PDE10A
T84133	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9Y233	PDE10A
T84133	DI0370	Schizophrenia	[ICD-11: 6A20]	Q9Y233	PDE10A
T84133	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9Y233	PDE10A
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T58992	DI0059	Bowel habit change	[ICD-11: ME05]	P41143	OPRD1
T58992	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P41143	OPRD1
T58992	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41143	OPRD1
T84631	DI0053	Blood-forming organ disease	[ICD-11: 3C0Z]	P00742	F10
T84631	DI0080	Christmas disease	[ICD-11: 3B11]	P00742	F10
T84631	DI0091	Coagulation defect	[ICD-11: 3B10]	P00742	F10
T84631	DI0103	Coronary thrombosis	[ICD-11: BA43]	P00742	F10
T84631	DI0114	Deep vein thrombosis	[ICD-11: BD71]	P00742	F10
T84631	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P00742	F10
T84631	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00742	F10
T84631	DI0433	Venous thromboembolism	[ICD-11: BD72]	P00742	F10
T35173	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	Q13489	BIRC3
T84780	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	Q13490	BIRC2
T13616	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q13418	ILK
T62460	DI0039	Atopic eczema	[ICD-11: EA80]	P23458	JAK1
T62460	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P23458	JAK1
T62460	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P23458	JAK1
T62460	DI0404	Thrombocytosis	[ICD-11: 3B63]	P23458	JAK1
T67619	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P31749	AKT1
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
T88975	DI0035	Arterial occlusive disease	[ICD-11: BD40]	Q14432	PDE3A
T88975	DI0037	Asthma	[ICD-11: CA23]	Q14432	PDE3A
T88975	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q14432	PDE3A
T88975	DI0404	Thrombocytosis	[ICD-11: 3B63]	Q14432	PDE3A
T98269	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P29466	CASP1
T98269	DI0146	Fibrosis	[ICD-11: GA14-GC01]	P29466	CASP1
T98269	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P29466	CASP1
T98269	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P29466	CASP1
T53764	DI0300	Neutropenia	[ICD-11: 4B00]	Q12884	FAP
T41580	DI0396	Substance abuse	[ICD-11: 6C40]	P18089	ADRA2B
T75596	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P50579	METAP2
T81358	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00311	CDC7
T81358	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O00311	CDC7
T55398	DI0039	Atopic eczema	[ICD-11: EA80]	Q9NWZ3	IRAK4
T55398	DI0109	Cutaneous lupus erythematosus	[ICD-11: EB50-EB5Z]	Q9NWZ3	IRAK4
T55398	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q9NWZ3	IRAK4
T55398	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q9NWZ3	IRAK4
T55398	DI0351	Psoriasis	[ICD-11: EA90]	Q9NWZ3	IRAK4
T55398	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9NWZ3	IRAK4
T94479	DI0025	Alzheimer disease	[ICD-11: 8A20]	P23443	RPS6KB1
T94479	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P23443	RPS6KB1
T94479	DI0419	Ulcerative colitis	[ICD-11: DD71]	P23443	RPS6KB1
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
T52921	DI0039	Atopic eczema	[ICD-11: EA80]	P41146	OPRL1
T52921	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P41146	OPRL1
T52921	DI0173	Headache	[ICD-11: 8A80-8A84]	P41146	OPRL1
T52921	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P41146	OPRL1
T15700	DI0120	Diabetes mellitus	[ICD-11: 5A10]	Q9UQ81	MCH5
T15700	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UQ81	MCH5
T07663	DI0190	Hypertension	[ICD-11: BA00-BA04]	O76074	PDE5A
T07663	DI0213	Innate/adaptive immunodeficiency	[ICD-11: 4A00]	O76074	PDE5A
T07663	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	O76074	PDE5A
T07663	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	O76074	PDE5A
T23995	DI0413	Transplant rejection	[ICD-11: NE84]	Q04759	PRKCQ
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T69685	DI0370	Schizophrenia	[ICD-11: 6A20]	P48067	SLC6A9
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T39716	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q14524	SCN5A
T39716	DI0068	Cardiac arrhythmia	[ICD-11: BC9Z]	Q14524	SCN5A
T39716	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	Q14524	SCN5A
T39716	DI0105	Cough	[ICD-11: MD12]	Q14524	SCN5A
T39716	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	Q14524	SCN5A
T39716	DI0264	Migraine	[ICD-11: 8A80]	Q14524	SCN5A
T39716	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q14524	SCN5A
T39716	DI0434	Ventricular tachyarrhythmia	[ICD-11: BC71]	Q14524	SCN5A
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T10265	DI0037	Asthma	[ICD-11: CA23]	Q07343	PDE4B
T10265	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	Q07343	PDE4B
T10265	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	Q07343	PDE4B
T68163	DI0281	Musculoskeletal disorder	[ICD-11: FA00-FC0Z]	P07948	LYN
T68163	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07948	LYN
T16808	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q99873	PRMT1
T76414	DI0024	Alpha-1-antitrypsin deficiency	[ICD-11: 5C5A]	Q13224	GRIN2B
T12966	DI0006	Acquired cutaneous blood vessel malformation	[ICD-11: EF20]	P63316	TNNC1
T12966	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P63316	TNNC1
T40787	DI0275	Multiple sclerosis	[ICD-11: 8A40]	Q13126	MTAP
T70490	DI0064	Bronchiectasis	[ICD-11: CA24]	P53634	CTSC
T17967	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q15119	PDK2
T58496	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q8NET8	TRPV3