Compound details

Pukateine

Compound ID	CDAMM00687
Common name	Pukateine
IUPAC name	11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
Molecular formula	C₁₈H₁₇NO₃

Experimental data

Retention time	9.35
Adduct	[M+H]+
Actual mz	296.126
Theoretical mz	296.128
Error	8.02
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.3643

Identifiers and class information

Inchi key	IKMXUUHNYQWZBC-STGVRZAANA-N
Smiles	OC1=CC=CC2=C1C=3C=4OCOC4C=C5C3C(N(C)CC5)C2
Superclass	Alkaloids and derivatives
Class	Aporphines

Plant source

Piper retrofractum Vahl

External sources

HMDB ID
KNApSAcK ID	C00001908
FooDB ID
DrugBank ID
ChEBI ID	CHEBI:8634
Pubchem Compound ID	3496768
PlantCyc ID
UNPD ID	UNPD121155
Coconut ID	CNP0263091
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)	1
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	2
Molecular weight (mol_MW)	295.337
Computed dipole moment(dipole)	2.749
Total solvent accessible surface area (SASA)	496.007
Hydrophobic component of SASA (FOSA)	266.699
Hydrophilic component of SASA (FISA)	36.968
Pie component of the SASA (PISA)	192.341
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	886.222
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	4.25
Free energy of solvation of dipole (dip^2/V)	0.0085291
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0085684
Globularity descriptor (glob)	0.899577
Predicted polarizability in cubic angstroms (QPpolrz)	30.507
Predicted hexadecane/gas partition coefficient (QPlogPC16)	8.49
Predicted octanol/gas partition coefficient (QPlogPoct)	13.446
Predicted water/gas partition coefficient (QPlogPw)	7.903
Predicted octanol/water partition coefficient (QPlogPo/w)	2.53
Predicted aqueous solubility (QPlogS)	-2.464
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.347
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.8
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	1102.13
Predicted brain/blood partition coefficient (QPlogBB)	0.597
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	607.964
Predicted skin permeability, log Kp (QPlogKp)	-3.49
PM3 calculated ionization potential (IP(ev))	8.621
PM3 calculated electron affinity (EA(eV))	0.305
Number of likely metabolic reactions (#metab)	5
Prediction of binding to human serum albumin (QPlogKhsa)	0.198
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	96.207
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)	40.801
Number of nitrogen and oxygen atoms (#NandO)	4
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
P43681	CHRNA4	Neuronal acetylcholine receptor; alpha4/beta2	T70967	SwissTargetPrediction
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
Q12809	KCNH2	HERG	T20251	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P34903	GABRA3	GABA A receptor alpha-3/beta-2/gamma-2	T62292	SwissTargetPrediction
P47869	GABRA2	GABA A receptor alpha-2/beta-2/gamma-2	T51452	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction and SEA
P34913	EPHX2	Epoxide hydratase	T35734	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction and SEA
P28335	HTR2C	Serotonin 2c (5-HT2c) receptor	T83813	SwissTargetPrediction
P31645	SLC6A4	Serotonin transporter (by homology)	T27812	SwissTargetPrediction
P41595	HTR2B	Serotonin 2b (5-HT2b) receptor	T31204	SwissTargetPrediction
P07949	RET	Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET	T60631	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 and SEA
P34969	HTR7	Serotonin 7 (5-HT7) receptor	T79062	SwissTargetPrediction and SEA
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
Q01959	SLC6A3	Dopamine transporter	T55959	SwissTargetPrediction
P14867	GABRA1	GABA-A receptor; alpha-1/beta-2/gamma-2	T51487	SwissTargetPrediction
P15121	AKR1B1	Aldose reductase	T26623	SwissTargetPrediction
P15538	CYP11B1	Cytochrome P450 11B1	T84621	SwissTargetPrediction
P19099	CYP11B2	Cytochrome P450 11B2	T59056	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P42330	AKR1C3	Aldo-keto-reductase family 1 member C3	T60857	SwissTargetPrediction
P07101	TH	Tyrosine 3-hydroxylase	T62390	SwissTargetPrediction and SEA
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction
O14684	PTGES	Prostaglandin E synthase	T02562	SwissTargetPrediction
P25021	HRH2	Histamine H2 receptor	T30985	SwissTargetPrediction
P14902	IDO1	Indoleamine 2,3-dioxygenase	T89697	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
P14174	MIF	Macrophage migration inhibitory factor	T39977	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
Q9BY41	HDAC8	Histone deacetylase 8	T28887	SwissTargetPrediction
P00338	LDHA	L-lactate dehydrogenase A chain	T15053	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction and SEA
P21918	DRD5	Dopamine D5 receptor	T46828	SwissTargetPrediction and SEA
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
Q9H2K2	TNKS2	Tankyrase-2	T38087	SwissTargetPrediction
O95271	TNKS	Tankyrase-1	T83059	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
P45452	MMP13	Matrix metalloproteinase 13	T34296	SwissTargetPrediction
Q16769	QPCT	Glutaminyl-peptide cyclotransferase	T46245	SwissTargetPrediction
P16050	ALOX15	Arachidonate 15-lipoxygenase	T16042	SwissTargetPrediction
P18054	ALOX12	Arachidonate 12-lipoxygenase	T35527	SwissTargetPrediction
Q08499	PDE4D	Phosphodiesterase 4D	T02001	SwissTargetPrediction
Q15722	LTB4R	Leukotriene B4 receptor 1	T59626	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SwissTargetPrediction
O75460	ERN1	Serine/threonine-protein kinase/endoribonuclease IRE1	T01003	SwissTargetPrediction
P35348	ADRA1A	Alpha-1a adrenergic receptor	T92609	SwissTargetPrediction
Q13418	ILK	Serine/threonine-protein kinase ILK-1	T13616	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
P05186	ALPL	Alkaline phosphatase, tissue-nonspecific isozyme	T09538	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
Q13627	DYRK1A	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	T92803	SwissTargetPrediction
P08842	STS	Steryl-sulfatase	T33489	SwissTargetPrediction
P40763	STAT3	Signal transducer and activator of transcription 3	T29130	SwissTargetPrediction
P08263	GSTA1	Glutathione S-transferase A1	T17221	SwissTargetPrediction
P47898	HTR5A	Serotonin 5a (5-HT5a) receptor	T15571	SwissTargetPrediction
P18089	ADRA2B	Alpha-2b adrenergic receptor	T41580	SwissTargetPrediction
P11362	FGFR1	Fibroblast growth factor receptor 1	T47101	SwissTargetPrediction
P46098	HTR3A	Serotonin 3a (5-HT3a) receptor	T64591	SwissTargetPrediction
Q9Y5Z0	BACE2	Beta secretase 2	T01280	SwissTargetPrediction
P55212	CASP6	Caspase-6	T20600	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
P12268	IMPDH2	Inosine-5'-monophosphate dehydrogenase 2	T89360	SwissTargetPrediction
Q99683	MAP3K5	Mitogen-activated protein kinase kinase kinase 5	T97589	SwissTargetPrediction
P04049	RAF1	Serine/threonine-protein kinase RAF	T51883	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
P30536	TSPO	Translocator protein (by homology)	T75440	SwissTargetPrediction
Q12791	KCNMA1	Calcium-activated potassium channel subunit alpha-1	T66538	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
Q15746	MYLK	Myosin light chain kinase, smooth muscle	T97141	SwissTargetPrediction
O43353	RIPK2	Serine/threonine-protein kinase RIPK2	T92463	SwissTargetPrediction
P01137	TGFB1	Transforming growth factor beta-1	T97257	SwissTargetPrediction
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SwissTargetPrediction
Q15822	CHRNA2	Neuronal acetylcholine receptor; alpha2/beta2	T55815	SEA
Q15349	RPS6KA2	Ribosomal protein S6 kinase alpha 2	T28043	SwissTargetPrediction
O95551	TDP2	Tyrosyl-DNA phosphodiesterase 2	T04696	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T70967	DI0029	Aneurysm/dissection	[ICD-11: BD50]	P43681	CHRNA4
T70967	DI0191	Hypertensive crisis	[ICD-11: BA03]	P43681	CHRNA4
T70967	DI0196	Hypotension	[ICD-11: BA20-BA21]	P43681	CHRNA4
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
T20251	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q12809	KCNH2
T77365	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P29274	ADORA2A
T77365	DI0331	Parkinsonism	[ICD-11: 8A00]	P29274	ADORA2A
T77365	DI0359	Radionuclide imaging	[ICD-11: N.A.]	P29274	ADORA2A
T92072	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P30542	ADORA1
T62292	DI0216	Intentional self-harm	[ICD-11: PC91]	P34903	GABRA3
T51452	DI0216	Intentional self-harm	[ICD-11: PC91]	P47869	GABRA2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T80276	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42336	PIK3CA
T80276	DI0151	Follicular lymphoma	[ICD-11: 2A80]	P42336	PIK3CA
T80276	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P42336	PIK3CA
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
T35734	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P34913	EPHX2
T35734	DI0190	Hypertension	[ICD-11: BA00-BA04]	P34913	EPHX2
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
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
T60631	DI0095	Colorectal cancer	[ICD-11: 2B91]	P07949	RET
T60631	DI0238	Lung cancer	[ICD-11: 2C25]	P07949	RET
T60631	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P07949	RET
T60631	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07949	RET
T60631	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P07949	RET
T60631	DI0407	Thyroid cancer	[ICD-11: 2D10]	P07949	RET
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
T55959	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	Q01959	SLC6A3
T55959	DI0051	Bipolar disorder	[ICD-11: 6A60]	Q01959	SLC6A3
T55959	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	Q01959	SLC6A3
T55959	DI0290	Narcolepsy	[ICD-11: 7A20]	Q01959	SLC6A3
T55959	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q01959	SLC6A3
T55959	DI0331	Parkinsonism	[ICD-11: 8A00]	Q01959	SLC6A3
T51487	DI0014	Acute respiratory distress syndrome	[ICD-11: CB00]	P14867	GABRA1
T51487	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P14867	GABRA1
T51487	DI0082	Chronic insomnia	[ICD-11: 7A00]	P14867	GABRA1
T51487	DI0087	Chronic pain	[ICD-11: MG30]	P14867	GABRA1
T51487	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P14867	GABRA1
T51487	DI0112	Cystitis	[ICD-11: GC00]	P14867	GABRA1
T51487	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14867	GABRA1
T51487	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P14867	GABRA1
T51487	DI0173	Headache	[ICD-11: 8A80-8A84]	P14867	GABRA1
T51487	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14867	GABRA1
T51487	DI0243	Malaria	[ICD-11: 1F40-1F45]	P14867	GABRA1
T51487	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P14867	GABRA1
T51487	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P14867	GABRA1
T26623	DI0298	Neuropathy	[ICD-11: 8C0Z]	P15121	AKR1B1
T26623	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P15121	AKR1B1
T84621	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P15538	CYP11B1
T84621	DI0108	Cushing syndrome	[ICD-11: 5A70]	P15538	CYP11B1
T59056	DI0190	Hypertension	[ICD-11: BA00-BA04]	P19099	CYP11B2
T66665	DI0087	Chronic pain	[ICD-11: MG30]	P35354	PTGS2
T66665	DI0145	Female pelvic pain	[ICD-11: GA34]	P35354	PTGS2
T66665	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P35354	PTGS2
T66665	DI0207	Indeterminate colitis	[ICD-11: DD72]	P35354	PTGS2
T66665	DI0227	Knee osteoarthritis	[ICD-11: FA01]	P35354	PTGS2
T66665	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P35354	PTGS2
T66665	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35354	PTGS2
T66665	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35354	PTGS2
T66665	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	P35354	PTGS2
T60857	DI0145	Female pelvic pain	[ICD-11: GA34]	P42330	AKR1C3
T62390	DI0019	Adrenomedullary hyperfunction	[ICD-11: 5A75]	P07101	TH
T62390	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P07101	TH
T80975	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P35968	KDR
T80975	DI0095	Colorectal cancer	[ICD-11: 2B91]	P35968	KDR
T80975	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P35968	KDR
T80975	DI0244	Malignant digestive organ neoplasm	[ICD-11: 2C11]	P35968	KDR
T80975	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P35968	KDR
T80975	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35968	KDR
T80975	DI0395	Stomach cancer	[ICD-11: 2B72]	P35968	KDR
T80975	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P35968	KDR
T80975	DI0407	Thyroid cancer	[ICD-11: 2D10]	P35968	KDR
T13260	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11511	CYP19A1
T13260	DI0108	Cushing syndrome	[ICD-11: 5A70]	P11511	CYP19A1
T02562	DI0025	Alzheimer disease	[ICD-11: 8A20]	O14684	PTGES
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
T89697	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14902	IDO1
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T54156	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P14780	MMP9
T54156	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P14780	MMP9
T54156	DI0395	Stomach cancer	[ICD-11: 2B72]	P14780	MMP9
T54156	DI0419	Ulcerative colitis	[ICD-11: DD71]	P14780	MMP9
T39977	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P14174	MIF
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T28887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9BY41	HDAC8
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
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
T47768	DI0013	Acute pain	[ICD-11: MG31]	P35372	OPRM1
T47768	DI0059	Bowel habit change	[ICD-11: ME05]	P35372	OPRM1
T47768	DI0087	Chronic pain	[ICD-11: MG30]	P35372	OPRM1
T47768	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P35372	OPRM1
T47768	DI0105	Cough	[ICD-11: MD12]	P35372	OPRM1
T47768	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35372	OPRM1
T47768	DI0124	Digestive system disease	[ICD-11: DE2Z]	P35372	OPRM1
T47768	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P35372	OPRM1
T47768	DI0228	Large intestine motility disorder	[ICD-11: DB32]	P35372	OPRM1
T47768	DI0317	Opioid use disorder	[ICD-11: 6C43]	P35372	OPRM1
T47768	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35372	OPRM1
T47768	DI0349	Pruritus	[ICD-11: EC90]	P35372	OPRM1
T47768	DI0374	Sensation disturbance	[ICD-11: MB40]	P35372	OPRM1
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
T75243	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P42345	MTOR
T75243	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	P42345	MTOR
T75243	DI0274	Multiple myeloma	[ICD-11: 2A83]	P42345	MTOR
T75243	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P42345	MTOR
T75243	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P42345	MTOR
T75243	DI0413	Transplant rejection	[ICD-11: NE84]	P42345	MTOR
T38087	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9H2K2	TNKS2
T83059	DI0060	Brain cancer	[ICD-11: 2A00]	O95271	TNKS
T83059	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	O95271	TNKS
T83059	DI0321	Ovarian cancer	[ICD-11: 2C73]	O95271	TNKS
T83059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O95271	TNKS
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
T70176	DI0060	Brain cancer	[ICD-11: 2A00]	P24941	CDK2
T70176	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P24941	CDK2
T70176	DI0238	Lung cancer	[ICD-11: 2C25]	P24941	CDK2
T70176	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P24941	CDK2
T70176	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P24941	CDK2
T70176	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P24941	CDK2
T70176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P24941	CDK2
T70176	DI0406	Thymoma	[ICD-11: 2C27]	P24941	CDK2
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
T34296	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45452	MMP13
T46245	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	Q16769	QPCT
T02001	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q08499	PDE4D
T59626	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	Q15722	LTB4R
T59626	DI0355	Pulmonary disease	[ICD-11: 1B10-1F85]	Q15722	LTB4R
T59626	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	Q15722	LTB4R
T89041	DI0346	Prostate cancer	[ICD-11: 2C82]	P05093	CYP17A1
T01003	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	O75460	ERN1
T92609	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35348	ADRA1A
T92609	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P35348	ADRA1A
T13616	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q13418	ILK
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T09538	DI0164	Genetic prion disease	[ICD-11: 8E02]	P05186	ALPL
T09538	DI0330	Parasitic infection	[ICD-11: 1D0Y-1G2Z]	P05186	ALPL
T92803	DI0113	Cytomegaloviral disease	[ICD-11: 1D82]	Q13627	DYRK1A
T33489	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P08842	STS
T29130	DI0351	Psoriasis	[ICD-11: EA90]	P40763	STAT3
T15571	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P47898	HTR5A
T41580	DI0396	Substance abuse	[ICD-11: 6C40]	P18089	ADRA2B
T47101	DI0095	Colorectal cancer	[ICD-11: 2B91]	P11362	FGFR1
T47101	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P11362	FGFR1
T47101	DI0235	Liver cancer	[ICD-11: 2C12]	P11362	FGFR1
T47101	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P11362	FGFR1
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
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
T89360	DI0413	Transplant rejection	[ICD-11: NE84]	P12268	IMPDH2
T97589	DI0083	Chronic kidney disease	[ICD-11: GB61]	Q99683	MAP3K5
T97589	DI0356	Pulmonary hypertension	[ICD-11: BB01]	Q99683	MAP3K5
T51883	DI0252	Melanoma	[ICD-11: 2C30]	P04049	RAF1
T51883	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04049	RAF1
T51883	DI0321	Ovarian cancer	[ICD-11: 2C73]	P04049	RAF1
T51883	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04049	RAF1
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T75440	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P30536	TSPO
T75440	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P30536	TSPO
T75440	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P30536	TSPO
T75440	DI0216	Intentional self-harm	[ICD-11: PC91]	P30536	TSPO
T75440	DI0271	Mood/affect symptom	[ICD-11: MB24]	P30536	TSPO
T75440	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P30536	TSPO
T66538	DI0037	Asthma	[ICD-11: CA23]	Q12791	KCNMA1
T66538	DI0154	Functional bladder disorder	[ICD-11: GC50]	Q12791	KCNMA1
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
T97141	DI0127	Duodenal ulcer	[ICD-11: DA63]	Q15746	MYLK
T92463	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	O43353	RIPK2
T92463	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	O43353	RIPK2
T97257	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P01137	TGFB1
T08910	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P18507	GABRG2
T08910	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P18507	GABRG2
T08910	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P18507	GABRG2
T55815	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	Q15822	CHRNA2
T55815	DI0117	Depression	[ICD-11: 6A70-6A7Z]	Q15822	CHRNA2
T55815	DI0166	Glaucoma	[ICD-11: 9C61]	Q15822	CHRNA2
T55815	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	Q15822	CHRNA2
T55815	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q15822	CHRNA2
T28043	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q15349	RPS6KA2