Compound details

Quebrachidine

Compound ID	CDAMM02572
Common name	Quebrachidine
IUPAC name	methyl 13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Molecular formula	C₂₁H₂₄N₂O₃

Experimental data

Retention time	11
Adduct	[M+H]+
Actual mz	353.185
Theoretical mz	353.186
Error	3.9
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.3493

Identifiers and class information

Inchi key	RLUORQGMBKDXPO-JYOAFUTRNA-N
Smiles	O=C(OC)C12C(O)C34C=5C=CC=CC5NC4C6N(CC(=CC)C1C6)C2C3
Superclass	Alkaloids and derivatives
Class	Corynanthean-type alkaloids

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID	HMDB0030389
KNApSAcK ID	C00024281
FooDB ID	FDB002242
DrugBank ID
ChEBI ID
Pubchem Compound ID	605544
PlantCyc ID
UNPD ID	UNPD100545
Coconut ID	CNP0262174
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	2
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)	2
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	2
Molecular weight (mol_MW)	352.432
Computed dipole moment(dipole)	4.55
Total solvent accessible surface area (SASA)	570.274
Hydrophobic component of SASA (FOSA)	325.144
Hydrophilic component of SASA (FISA)	83.637
Pie component of the SASA (PISA)	161.492
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1065.79
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	5.7
Free energy of solvation of dipole (dip^2/V)	0.0194244
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0099952
Globularity descriptor (glob)	0.884834
Predicted polarizability in cubic angstroms (QPpolrz)	36.757
Predicted hexadecane/gas partition coefficient (QPlogPC16)	10.192
Predicted octanol/gas partition coefficient (QPlogPoct)	16.733
Predicted water/gas partition coefficient (QPlogPw)	9.397
Predicted octanol/water partition coefficient (QPlogPo/w)	2.172
Predicted aqueous solubility (QPlogS)	-1.872
Conformation-independent predicted aqueous solubility (CIQPlogS)	-2.499
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.618
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	99.212
Predicted brain/blood partition coefficient (QPlogBB)	0.528
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	49.833
Predicted skin permeability, log Kp (QPlogKp)	-6.425
PM3 calculated ionization potential (IP(ev))	8.445
PM3 calculated electron affinity (EA(eV))	-0.378
Number of likely metabolic reactions (#metab)	4
Prediction of binding to human serum albumin (QPlogKhsa)	0.351
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	75.398
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)	69.403
Number of nitrogen and oxygen atoms (#NandO)	5
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
P08173	CHRM4	Muscarinic acetylcholine receptor M4	T20709	SwissTargetPrediction
P06241	FYN	Tyrosine-protein kinase FYN	T17980	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
P20309	CHRM3	Muscarinic acetylcholine receptor M3	T67684	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P04818	TYMS	Thymidylate synthase (by homology)	T98397	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
P09960	LTA4H	Leukotriene A4 hydrolase	T03691	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P41594	GRM5	Metabotropic glutamate receptor 5	T99347	SwissTargetPrediction
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P05067	APP	Beta amyloid A4 protein	T87024	SwissTargetPrediction
P11712	CYP2C9	Cytochrome P450 2C9	T19244	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P23280	CA6	Carbonic anhydrase VI	T06569	SwissTargetPrediction
P22748	CA4	Carbonic anhydrase IV	T53378	SwissTargetPrediction
P42785	PRCP	Lysosomal Pro-X carboxypeptidase	T20371	SwissTargetPrediction
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SwissTargetPrediction
P15121	AKR1B1	Aldose reductase	T26623	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P42330	AKR1C3	Aldo-keto-reductase family 1 member C3	T60857	SwissTargetPrediction
P04183	TK1	Thymidine kinase, cytosolic	T30081	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
P08235	NR3C2	Mineralocorticoid receptor	T72168	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction
O14684	PTGES	Prostaglandin E synthase	T02562	SwissTargetPrediction
P25021	HRH2	Histamine H2 receptor	T30985	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P11473	VDR	Vitamin D receptor	T34234	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
P09917	ALOX5	Arachidonate 5-lipoxygenase	T00140	SwissTargetPrediction
P08069	IGF1R	Insulin-like growth factor I receptor	T48069	SwissTargetPrediction
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
O14746	TERT	Telomerase reverse transcriptase	T86052	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P29597	TYK2	Tyrosine-protein kinase TYK2	T78932	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P23109	AMPD1	AMP deaminase 1	T84553	SwissTargetPrediction
P34995	PTGER1	Prostanoid EP1 receptor	T15497	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P50750	CDK9	Cyclin-dependent kinase 9	T44458	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
Q99558	MAP3K14	Mitogen-activated protein kinase kinase kinase 14	T95736	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
Q99835	SMO	Smoothened homolog	T66505	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P46663	BDKRB1	Bradykinin B1 receptor	T58589	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
O60706	ABCC9	Sulfonylurea receptor 2	T02777	SwissTargetPrediction
Q14654	KCNJ11	Sulfonylurea receptor 2, Kir6.2	T00820	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
O00408	PDE2A	Phosphodiesterase 2A	T77400	SwissTargetPrediction
P49238	CX3CR1	C-X3-C chemokine receptor 1	T15033	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
P40189	IL6ST	Interleukin-6 receptor subunit beta	T93440	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
O75907	DGAT1	Diacylglycerol O-acyltransferase 1	T16688	SwissTargetPrediction
Q15759	MAPK11	MAP kinase p38 beta	T55729	SwissTargetPrediction
P50336	PPOX	Protoporphyrinogen oxidase	T34239	SwissTargetPrediction
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SwissTargetPrediction
P15309	ACPP	Prostatic acid phosphatase	T93283	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
T17980	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06241	FYN
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
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
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
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
T98397	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04818	TYMS
T98397	DI0395	Stomach cancer	[ICD-11: 2B72]	P04818	TYMS
T62292	DI0216	Intentional self-harm	[ICD-11: PC91]	P34903	GABRA3
T51452	DI0216	Intentional self-harm	[ICD-11: PC91]	P47869	GABRA2
T03691	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P09960	LTA4H
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T99347	DI0152	Fragile X chromosome	[ICD-11: LD55]	P41594	GRM5
T99347	DI0331	Parkinsonism	[ICD-11: 8A00]	P41594	GRM5
T13201	DI0166	Glaucoma	[ICD-11: 9C61]	P00915	CA1
T13201	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00915	CA1
T87024	DI0025	Alzheimer disease	[ICD-11: 8A20]	P05067	APP
T87024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P05067	APP
T19244	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P11712	CYP2C9
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
T20401	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P00918	CA2
T20401	DI0137	Essential hypertension	[ICD-11: BA00]	P00918	CA2
T20401	DI0166	Glaucoma	[ICD-11: 9C61]	P00918	CA2
T20401	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P00918	CA2
T20401	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P00918	CA2
T20401	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00918	CA2
T06569	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P23280	CA6
T06569	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P23280	CA6
T53378	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P22748	CA4
T53378	DI0166	Glaucoma	[ICD-11: 9C61]	P22748	CA4
T53378	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P22748	CA4
T11072	DI0264	Migraine	[ICD-11: 8A80]	P28221	HTR1D
T11072	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28221	HTR1D
T26623	DI0298	Neuropathy	[ICD-11: 8C0Z]	P15121	AKR1B1
T26623	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P15121	AKR1B1
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
T30081	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P04183	TK1
T30081	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P04183	TK1
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
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
T72168	DI0018	Adrenocortical insufficiency	[ICD-11: 5A74]	P08235	NR3C2
T72168	DI0083	Chronic kidney disease	[ICD-11: GB61]	P08235	NR3C2
T72168	DI0100	Contraceptive management	[ICD-11: QA21]	P08235	NR3C2
T72168	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08235	NR3C2
T72168	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08235	NR3C2
T72168	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P08235	NR3C2
T40016	DI0016	Adaptive immunity immunodeficiency	[ICD-11: 4A01]	P04150	NR3C1
T40016	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P04150	NR3C1
T40016	DI0037	Asthma	[ICD-11: CA23]	P04150	NR3C1
T40016	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P04150	NR3C1
T40016	DI0108	Cushing syndrome	[ICD-11: 5A70]	P04150	NR3C1
T40016	DI0280	Muscular dystrophy	[ICD-11: 8C70]	P04150	NR3C1
T40016	DI0314	Oesophagitis	[ICD-11: DA24]	P04150	NR3C1
T40016	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P04150	NR3C1
T40016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P04150	NR3C1
T40016	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04150	NR3C1
T40016	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P04150	NR3C1
T22939	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06401	PGR
T22939	DI0100	Contraceptive management	[ICD-11: QA21]	P06401	PGR
T22939	DI0255	Menstrual cycle bleeding disorder	[ICD-11: GA20]	P06401	PGR
T22939	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P06401	PGR
T22939	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06401	PGR
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
T65200	DI0210	Influenza	[ICD-11: 1E30-1E32]	P28845	HSD11B1
T65200	DI0239	Lupus erythematosus	[ICD-11: 4A40]	P28845	HSD11B1
T65200	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P28845	HSD11B1
T34234	DI0083	Chronic kidney disease	[ICD-11: GB61]	P11473	VDR
T34234	DI0171	Hair/hair growth developmental defect	[ICD-11: LC30]	P11473	VDR
T34234	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P11473	VDR
T34234	DI0195	Hypo-parathyroidism	[ICD-11: 5A50]	P11473	VDR
T34234	DI0266	Mineral deficiency	[ICD-11: 5B5K]	P11473	VDR
T34234	DI0351	Psoriasis	[ICD-11: EA90]	P11473	VDR
T34234	DI0437	Vitamin deficiency	[ICD-11: 5B55-5B5F]	P11473	VDR
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
T00140	DI0037	Asthma	[ICD-11: CA23]	P09917	ALOX5
T00140	DI0147	Filariasis	[ICD-11: 1F66]	P09917	ALOX5
T00140	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09917	ALOX5
T48069	DI0276	Multiple structural anomalies syndrome	[ICD-11: LD2F]	P08069	IGF1R
T48069	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P08069	IGF1R
T48069	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P08069	IGF1R
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
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
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
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
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
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
T76059	DI0331	Parkinsonism	[ICD-11: 8A00]	P62942	FKBP1A
T76059	DI0349	Pruritus	[ICD-11: EC90]	P62942	FKBP1A
T76059	DI0413	Transplant rejection	[ICD-11: NE84]	P62942	FKBP1A
T86052	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	O14746	TERT
T86052	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O14746	TERT
T86052	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O14746	TERT
T53585	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P04035	HMGCR
T53585	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P04035	HMGCR
T53585	DI0128	Dyslipidemia	[ICD-11: 5C80-5C81]	P04035	HMGCR
T53585	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P04035	HMGCR
T53585	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P04035	HMGCR
T53585	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P04035	HMGCR
T53585	DI0324	Pain	[ICD-11: MG30-MG3Z]	P04035	HMGCR
T89041	DI0346	Prostate cancer	[ICD-11: 2C82]	P05093	CYP17A1
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
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T99204	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P49810	PSEN2
T99204	DI0380	Shoulder lesion	[ICD-11: FB53]	P49810	PSEN2
T99204	DI0390	Soft tissue disorder	[ICD-11: FB56]	P49810	PSEN2
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
T40474	DI0238	Lung cancer	[ICD-11: 2C25]	P08581	MET
T40474	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P08581	MET
T40474	DI0407	Thyroid cancer	[ICD-11: 2D10]	P08581	MET
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
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
T23172	DI0023	Alopecia	[ICD-11: ED70]	P52333	JAK3
T23172	DI0039	Atopic eczema	[ICD-11: EA80]	P52333	JAK3
T23172	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P52333	JAK3
T23172	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P52333	JAK3
T78932	DI0351	Psoriasis	[ICD-11: EA90]	P29597	TYK2
T58970	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P28482	MAPK1
T58970	DI0252	Melanoma	[ICD-11: 2C30]	P28482	MAPK1
T58970	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P28482	MAPK1
T58970	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28482	MAPK1
T15497	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P34995	PTGER1
T49898	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06493	CDK1
T49898	DI0238	Lung cancer	[ICD-11: 2C25]	P06493	CDK1
T49898	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P06493	CDK1
T49898	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P06493	CDK1
T49898	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06493	CDK1
T44458	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P50750	CDK9
T44458	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P50750	CDK9
T44458	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P50750	CDK9
T44458	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P50750	CDK9
T44458	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P50750	CDK9
T44458	DI0302	Non-alcoholic fatty liver disease	[ICD-11: DB92]	P50750	CDK9
T44458	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P50750	CDK9
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T66505	DI0047	Basal cell carcinoma	[ICD-11: 2C32]	Q99835	SMO
T66505	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	Q99835	SMO
T66505	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q99835	SMO
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T58589	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P46663	BDKRB1
T58589	DI0365	Retinopathy	[ICD-11: 9B71]	P46663	BDKRB1
T58589	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P46663	BDKRB1
T69485	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43614	HCRTR2
T73482	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O43613	HCRTR1
T73482	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43613	HCRTR1
T73482	DI0317	Opioid use disorder	[ICD-11: 6C43]	O43613	HCRTR1
T02777	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O60706	ABCC9
T02777	DI0030	Angina pectoris	[ICD-11: BA40]	O60706	ABCC9
T02777	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	O60706	ABCC9
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T77400	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	O00408	PDE2A
T77400	DI0207	Indeterminate colitis	[ICD-11: DD72]	O00408	PDE2A
T77400	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	O00408	PDE2A
T77400	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	O00408	PDE2A
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T93440	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P40189	IL6ST
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
T16688	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	O75907	DGAT1
T55729	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q15759	MAPK11
T55729	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q15759	MAPK11
T34239	DI0133	Epidermal dysplasias	[ICD-11: EK90]	P50336	PPOX
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
T93283	DI0346	Prostate cancer	[ICD-11: 2C82]	P15309	ACPP