Compound details

Daphgraciline

Compound ID	CDAMM01315
Common name	Daphgraciline
IUPAC name	methyl 2\'-ethyl-2\'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadeca-8(14),11-diene-15,5\'-oxane]-12-carboxylate
Molecular formula	C₂₃H₃₃NO₄

Experimental data

Retention time	11.41
Adduct	[M+K]+
Actual mz	426.204
Theoretical mz	426.204
Error	0.61
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.8159

Identifiers and class information

Inchi key	INNZHGHJFINUNM-UAKMNLAUNA-N
Smiles	O=C(OC)C1=C2C3=C(CC2)CCC4CN(C)CC3(C1)C54COC(O)(CC)CC5
Superclass	Organoheterocyclic compounds
Class	Azaspirodecane derivatives

Plant source

Cinnamomum verum J. Presl

Cinnamomum tamala (Buch.-Ham.) T.Nees & C.H.Eberm.

External sources

HMDB ID
KNApSAcK ID	C00047833
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	162922546
PlantCyc ID
UNPD ID	UNPD182756
Coconut ID	CNP0192143
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)	387.518
Computed dipole moment(dipole)	3.75
Total solvent accessible surface area (SASA)	669.68
Hydrophobic component of SASA (FOSA)	580.251
Hydrophilic component of SASA (FISA)	86.765
Pie component of the SASA (PISA)	2.664
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1235.95
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	5.5
Free energy of solvation of dipole (dip^2/V)	0.0113758
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0082129
Globularity descriptor (glob)	0.831698
Predicted polarizability in cubic angstroms (QPpolrz)	41.408
Predicted hexadecane/gas partition coefficient (QPlogPC16)	10.553
Predicted octanol/gas partition coefficient (QPlogPoct)	17.741
Predicted water/gas partition coefficient (QPlogPw)	8.159
Predicted octanol/water partition coefficient (QPlogPo/w)	3.62
Predicted aqueous solubility (QPlogS)	-4.739
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.017
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.994
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	371.543
Predicted brain/blood partition coefficient (QPlogBB)	-0.055
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	187.698
Predicted skin permeability, log Kp (QPlogKp)	-4.884
PM3 calculated ionization potential (IP(ev))	8.925
PM3 calculated electron affinity (EA(eV))	0.598
Number of likely metabolic reactions (#metab)	5
Prediction of binding to human serum albumin (QPlogKhsa)	0.779
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	94.14
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)	67.778
Number of nitrogen and oxygen atoms (#NandO)	5
Number of violations of Lipinskiâ€™s rule of five (RuleOfFive)	0
Number of violations of Jorgensenâ€™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
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P22303	ACHE	Acetylcholinesterase	T30082	SwissTargetPrediction
P10635	CYP2D6	Cytochrome P450 2D6	T57392	SwissTargetPrediction and SEA
P29475	NOS1	Nitric-oxide synthase, brain	T16117	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P41594	GRM5	Metabotropic glutamate receptor 5	T99347	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
Q05586	GRIN1	Glutamate NMDA receptor; GRIN1/GRIN2B	T62276	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
P31645	SLC6A4	Serotonin transporter (by homology)	T27812	SwissTargetPrediction
Q05940	SLC18A2	Synaptic vesicular amine transporter (by homology)	T48873	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
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	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
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
P25440	BRD2	Bromodomain-containing protein 2	T86597	SwissTargetPrediction
Q15059	BRD3	Bromodomain-containing protein 3	T42048	SwissTargetPrediction
P07339	CTSD	Cathepsin D	T67102	SwissTargetPrediction
P25021	HRH2	Histamine H2 receptor	T30985	SwissTargetPrediction
P35367	HRH1	Histamine H1 receptor	T77913	SwissTargetPrediction
O00206	TLR4	Toll-like receptor 4 (by homology)	T81443	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P21918	DRD5	Dopamine D5 receptor	T46828	SwissTargetPrediction
P07550	ADRB2	Adrenergic receptor beta	T52522	SwissTargetPrediction
P23975	SLC6A2	Norepinephrine transporter	T21945	SwissTargetPrediction
Q13639	HTR4	Serotonin 4 (5-HT4) receptor	T59679	SwissTargetPrediction
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
Q16850	CYP51A1	Cytochrome P450 51 (by homology)	T32972	SwissTargetPrediction
P35348	ADRA1A	Alpha-1a adrenergic receptor	T92609	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	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
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
Q02156	PRKCE	Protein kinase C epsilon	T00895	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
Q12884	FAP	Fibroblast activation protein alpha (by homology)	T53764	SwissTargetPrediction
P18089	ADRA2B	Alpha-2b adrenergic receptor	T41580	SwissTargetPrediction
P09619	PDGFRB	Platelet-derived growth factor receptor beta	T59102	SwissTargetPrediction
P21730	C5AR1	C5a anaphylatoxin chemotactic receptor	T15439	SwissTargetPrediction
P41146	OPRL1	Nociceptin receptor	T52921	SwissTargetPrediction
P46098	HTR3A	Serotonin 3a (5-HT3a) receptor	T64591	SwissTargetPrediction
Q9Y5Z0	BACE2	Beta secretase 2	T01280	SwissTargetPrediction
P32745	SSTR3	Somatostatin receptor 3	T13644	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
Q86TI2	DPP9	Dipeptidyl peptidase IX	T66252	SwissTargetPrediction
P48067	SLC6A9	Glycine transporter 1	T69685	SwissTargetPrediction
P41180	CASR	Calcium sensing receptor	T92076	SwissTargetPrediction
P53609	PGGT1B	Geranylgeranyl transferase type I	T76396	SwissTargetPrediction
Q14524	SCN5A	Sodium channel protein type V alpha subunit	T39716	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
Q9UKP6	UTS2R	Urotensin II receptor	T49072	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
P35790	CHKA	Choline kinase alpha	T55709	SwissTargetPrediction
Q14123	PDE1C	Phosphodiesterase 1C	T92439	SwissTargetPrediction
P05129	PRKCG	Protein kinase C gamma	T47107	SwissTargetPrediction
Q13224	GRIN2B	Glutamate [NMDA] receptor subunit epsilon 2	T76414	SwissTargetPrediction
Q13126	MTAP	S-methyl-5-thioadenosine phosphorylase	T40787	SwissTargetPrediction
P53634	CTSC	Dipeptidyl peptidase I	T70490	SwissTargetPrediction
Q9HCR9	PDE11A	Phosphodiesterase 11A	T99802	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T64765	DI0392	Somnolence	[ICD-11: MG42]	Q9Y5N1	HRH3
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
T30082	DI0025	Alzheimer disease	[ICD-11: 8A20]	P22303	ACHE
T30082	DI0166	Glaucoma	[ICD-11: 9C61]	P22303	ACHE
T30082	DI0282	Myasthenia gravis	[ICD-11: 8C6Y]	P22303	ACHE
T30082	DI0313	Oesophageal/gastroduodenal disorder	[ICD-11: DD90]	P22303	ACHE
T30082	DI0332	Pediculosis	[ICD-11: 1G00]	P22303	ACHE
T30082	DI0421	Unspecific substance harmful effect	[ICD-11: NE6Z]	P22303	ACHE
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
T99347	DI0152	Fragile X chromosome	[ICD-11: LD55]	P41594	GRM5
T99347	DI0331	Parkinsonism	[ICD-11: 8A00]	P41594	GRM5
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
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
T62276	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q05586	GRIN1
T62276	DI0182	HIV-infected patients with tuberculosis	[ICD-11: 1B10-1B14]	Q05586	GRIN1
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
T27812	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P31645	SLC6A4
T27812	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P31645	SLC6A4
T27812	DI0087	Chronic pain	[ICD-11: MG30]	P31645	SLC6A4
T27812	DI0096	concerning food/fluid intake symptom	[ICD-11: MG43]	P31645	SLC6A4
T27812	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P31645	SLC6A4
T27812	DI0105	Cough	[ICD-11: MD12]	P31645	SLC6A4
T27812	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P31645	SLC6A4
T27812	DI0264	Migraine	[ICD-11: 8A80]	P31645	SLC6A4
T27812	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	P31645	SLC6A4
T27812	DI0308	Obesity	[ICD-11: 5B80-5B81]	P31645	SLC6A4
T27812	DI0324	Pain	[ICD-11: MG30-MG3Z]	P31645	SLC6A4
T48873	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q05940	SLC18A2
T48873	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	Q05940	SLC18A2
T48873	DI0129	Dystonic disorder	[ICD-11: 8A02]	Q05940	SLC18A2
T48873	DI0137	Essential hypertension	[ICD-11: BA00]	Q05940	SLC18A2
T48873	DI0190	Hypertension	[ICD-11: BA00-BA04]	Q05940	SLC18A2
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
T11072	DI0264	Migraine	[ICD-11: 8A80]	P28221	HTR1D
T11072	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28221	HTR1D
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
T86597	DI0106	COVID-19	[ICD-11: 1D6Y]	P25440	BRD2
T42048	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q15059	BRD3
T42048	DI0346	Prostate cancer	[ICD-11: 2C82]	Q15059	BRD3
T67102	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07339	CTSD
T30985	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	P25021	HRH2
T30985	DI0313	Oesophageal/gastroduodenal disorder	[ICD-11: DD90]	P25021	HRH2
T30985	DI0333	Peptic ulcer	[ICD-11: DA61]	P25021	HRH2
T77913	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P35367	HRH1
T77913	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P35367	HRH1
T77913	DI0063	Breathing abnormality	[ICD-11: MD11]	P35367	HRH1
T77913	DI0099	Conjunctiva disorder	[ICD-11: 9A60]	P35367	HRH1
T77913	DI0105	Cough	[ICD-11: MD12]	P35367	HRH1
T77913	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35367	HRH1
T77913	DI0136	Episodic vestibular syndrome	[ICD-11: AB31]	P35367	HRH1
T77913	DI0173	Headache	[ICD-11: 8A80-8A84]	P35367	HRH1
T77913	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P35367	HRH1
T77913	DI0272	Morning sickness disorder	[ICD-11: SC00]	P35367	HRH1
T77913	DI0292	Nasopharyngitis	[ICD-11: CA00]	P35367	HRH1
T77913	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35367	HRH1
T77913	DI0331	Parkinsonism	[ICD-11: 8A00]	P35367	HRH1
T77913	DI0349	Pruritus	[ICD-11: EC90]	P35367	HRH1
T77913	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35367	HRH1
T77913	DI0388	Sleep-wake disorder	[ICD-11: 7A00-7B2Z]	P35367	HRH1
T77913	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P35367	HRH1
T81443	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	O00206	TLR4
T81443	DI0346	Prostate cancer	[ICD-11: 2C82]	O00206	TLR4
T81443	DI0375	Sepsis	[ICD-11: 1G40-1G41]	O00206	TLR4
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
T46828	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21918	DRD5
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
T59679	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	Q13639	HTR4
T59679	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q13639	HTR4
T01777	DI0166	Glaucoma	[ICD-11: 9C61]	P18825	ADRA2C
T01777	DI0190	Hypertension	[ICD-11: BA00-BA04]	P18825	ADRA2C
T01777	DI0196	Hypotension	[ICD-11: BA20-BA21]	P18825	ADRA2C
T01777	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18825	ADRA2C
T01777	DI0310	Ocular disease	[ICD-11: N.A.]	P18825	ADRA2C
T01777	DI0396	Substance abuse	[ICD-11: 6C40]	P18825	ADRA2C
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
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T65864	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	Q16539	MAPK14
T65864	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q16539	MAPK14
T65864	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q16539	MAPK14
T65864	DI0437	Vitamin deficiency	[ICD-11: 5B55-5B5F]	Q16539	MAPK14
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
T74312	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P36888	FLT3
T74312	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P36888	FLT3
T74312	DI0095	Colorectal cancer	[ICD-11: 2B91]	P36888	FLT3
T74312	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P36888	FLT3
T74312	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P36888	FLT3
T74312	DI0248	Mastocytosis	[ICD-11: 2A21]	P36888	FLT3
T74312	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P36888	FLT3
T74312	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P36888	FLT3
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
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
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
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T32972	DI0209	Infectious meningitis	[ICD-11: 1D01]	Q16850	CYP51A1
T32972	DI0289	Nail/perionychium infection	[ICD-11: EE12]	Q16850	CYP51A1
T32972	DI0316	Onchocerciasis	[ICD-11: 1F6A]	Q16850	CYP51A1
T92609	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35348	ADRA1A
T92609	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P35348	ADRA1A
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
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
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T40276	DI0123	Diffuse large B-cell lymphoma	[ICD-11: 2A81]	P05771	PRKCB
T40276	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P05771	PRKCB
T40276	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P05771	PRKCB
T00895	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	Q02156	PRKCE
T00895	DI0243	Malaria	[ICD-11: 1F40-1F45]	Q02156	PRKCE
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
T57700	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P10721	KIT
T57700	DI0095	Colorectal cancer	[ICD-11: 2B91]	P10721	KIT
T57700	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P10721	KIT
T57700	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P10721	KIT
T57700	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P10721	KIT
T57700	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P10721	KIT
T57700	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P10721	KIT
T85943	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P12931	SRC
T85943	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P12931	SRC
T85943	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P12931	SRC
T85943	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P12931	SRC
T53764	DI0300	Neutropenia	[ICD-11: 4B00]	Q12884	FAP
T41580	DI0396	Substance abuse	[ICD-11: 6C40]	P18089	ADRA2B
T59102	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P09619	PDGFRB
T59102	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P09619	PDGFRB
T59102	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09619	PDGFRB
T15439	DI0431	Vasculitis	[ICD-11: 4A44]	P21730	C5AR1
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
T64591	DI0087	Chronic pain	[ICD-11: MG30]	P46098	HTR3A
T64591	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P46098	HTR3A
T64591	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P46098	HTR3A
T64591	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P46098	HTR3A
T64591	DI0293	Nausea/vomiting	[ICD-11: MD90]	P46098	HTR3A
T01280	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	Q9Y5Z0	BACE2
T13644	DI0108	Cushing syndrome	[ICD-11: 5A70]	P32745	SSTR3
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
T66252	DI0300	Neutropenia	[ICD-11: 4B00]	Q86TI2	DPP9
T69685	DI0370	Schizophrenia	[ICD-11: 6A20]	P48067	SLC6A9
T92076	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P41180	CASR
T76396	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P53609	PGGT1B
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
T49072	DI0037	Asthma	[ICD-11: CA23]	Q9UKP6	UTS2R
T17852	DI0025	Alzheimer disease	[ICD-11: 8A20]	O76083	PDE9A
T17852	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	O76083	PDE9A
T17852	DI0165	Genitourinary disease	[ICD-11: GA0Z-GC8Z]	O76083	PDE9A
T17852	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	O76083	PDE9A
T17852	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	O76083	PDE9A
T17852	DI0331	Parkinsonism	[ICD-11: 8A00]	O76083	PDE9A
T17852	DI0370	Schizophrenia	[ICD-11: 6A20]	O76083	PDE9A
T17852	DI0381	Sickle-cell disorder	[ICD-11: 3A51]	O76083	PDE9A
T55709	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35790	CHKA
T47107	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P05129	PRKCG
T47107	DI0248	Mastocytosis	[ICD-11: 2A21]	P05129	PRKCG
T76414	DI0024	Alpha-1-antitrypsin deficiency	[ICD-11: 5C5A]	Q13224	GRIN2B
T40787	DI0275	Multiple sclerosis	[ICD-11: 8A40]	Q13126	MTAP
T70490	DI0064	Bronchiectasis	[ICD-11: CA24]	P53634	CTSC