Compound details

Incarvine C

Compound ID	CDAMM01163
Common name	Incarvine C
IUPAC name	(2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular formula	C₂₁H₂₉NO₄

Experimental data

Retention time	12.78
Adduct	[M+H]+
Actual mz	360.22
Theoretical mz	360.217
Error	6.17
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.4362

Identifiers and class information

Inchi key	OFDLBJAQGFWTKC-OVZXUKKZNA-N
Smiles	O=C(OC1CC2C(C)CN(C)CC2C1C)C=CC3=CC=C(O)C(OC)=C3
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives

Plant source

Cinnamomum verum J. Presl

Asparagus gonoclados Baker

External sources

HMDB ID
KNApSAcK ID	C00031883
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	72757275
PlantCyc ID
UNPD ID	UNPD114405
Coconut ID	CNP0194773
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)	6
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	1
Molecular weight (mol_MW)	359.464
Computed dipole moment(dipole)	1.557
Total solvent accessible surface area (SASA)	698.902
Hydrophobic component of SASA (FOSA)	464.238
Hydrophilic component of SASA (FISA)	101.575
Pie component of the SASA (PISA)	133.09
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1241.16
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	5.5
Free energy of solvation of dipole (dip^2/V)	0.0019541
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0078695
Globularity descriptor (glob)	0.799161
Predicted polarizability in cubic angstroms (QPpolrz)	40.936
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.667
Predicted octanol/gas partition coefficient (QPlogPoct)	17.498
Predicted water/gas partition coefficient (QPlogPw)	8.556
Predicted octanol/water partition coefficient (QPlogPo/w)	3.689
Predicted aqueous solubility (QPlogS)	-4.77
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.658
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-6.143
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	268.885
Predicted brain/blood partition coefficient (QPlogBB)	-0.46
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	132.33
Predicted skin permeability, log Kp (QPlogKp)	-4.409
PM3 calculated ionization potential (IP(ev))	8.9
PM3 calculated electron affinity (EA(eV))	0.792
Number of likely metabolic reactions (#metab)	3
Prediction of binding to human serum albumin (QPlogKhsa)	0.652
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	92.03
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)	70.915
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
P43681	CHRNA4	Neuronal acetylcholine receptor; alpha4/beta2	T70967	SwissTargetPrediction
P36544	CHRNA7	Neuronal acetylcholine receptor protein alpha-7 subunit	T34429	SwissTargetPrediction
P29475	NOS1	Nitric-oxide synthase, brain	T16117	SwissTargetPrediction
P29474	NOS3	Nitric-oxide synthase, endothelial	T06046	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
Q99720	SIGMAR1	Sigma opioid receptor	T46360	SwissTargetPrediction
P54289	CACNA2D1	Voltage-gated calcium channel alpha2/delta subunit 1 (by homology)	T84316	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P02766	TTR	Transthyretin	T86462	SEA
P05067	APP	Beta amyloid A4 protein	T87024	SEA
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
Q05586	GRIN1	Glutamate NMDA receptor; GRIN1/GRIN2B	T62276	SwissTargetPrediction
P43166	CA7	Carbonic anhydrase VII	T37541	SEA
P23280	CA6	Carbonic anhydrase VI	T06569	SEA
Q9ULX7	CA14	Carbonic anhydrase XIV	T31992	SEA
P27338	MAOB	Monoamine oxidase B	T83011	SwissTargetPrediction
O60341	KDM1A	Lysine-specific histone demethylase 1	T16739	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P32297	CHRNA3	Neuronal acetylcholine receptor; alpha3/beta4	T74166	SwissTargetPrediction
P07949	RET	Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET	T60631	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
O75164	KDM4A	Lysine-specific demethylase 4A	T18904	SwissTargetPrediction
P11926	ODC1	Ornithine decarboxylase	T60366	SEA
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
O14684	PTGES	Prostaglandin E synthase	T02562	SEA
P29350	PTPN6	Protein-tyrosine phosphatase 1C	T98264	SEA
P49137	MAPKAPK2	MAP kinase-activated protein kinase 2	T21307	SwissTargetPrediction
Q9Y4C1	KDM3A	Lysine-specific demethylase 3A	T25362	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P21918	DRD5	Dopamine D5 receptor	T46828	SwissTargetPrediction
P33527	ABCC1	Multidrug resistance-associated protein 1	T11288	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction and SEA
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SEA
P30291	WEE1	Serine/threonine-protein kinase WEE1	T69991	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P11802	CDK4	Cyclin-dependent kinase 4	T85799	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
Q86V86	PIM3	Serine/threonine-protein kinase PIM3	T16596	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P19838	NFKB1	Nuclear factor NF-kappa-B p105 subunit	T83145	SEA
Q92847	GHSR	Ghrelin receptor	T59604	SwissTargetPrediction
Q13490	BIRC2	Baculoviral IAP repeat-containing protein 2	T84780	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P11388	TOP2A	DNA topoisomerase II alpha	T17048	SEA
O75460	ERN1	Serine/threonine-protein kinase/endoribonuclease IRE1	T01003	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	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
Q09472	EP300	Histone acetyltransferase p300	T25956	SEA
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction and SEA
P41229	KDM5C	Lysine-specific demethylase 5C	T85540	SwissTargetPrediction
P17948	FLT1	Vascular endothelial growth factor receptor 1	T63966	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
Q9UGN5	PARP2	Poly [ADP-ribose] polymerase 2	T40812	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
Q9UGL1	KDM5B	Lysine-specific demethylase 5B	T56871	SwissTargetPrediction
Q9Y2K7	KDM2A	Lysine-specific demethylase 2A	T71949	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P09619	PDGFRB	Platelet-derived growth factor receptor beta	T59102	SwissTargetPrediction
P11362	FGFR1	Fibroblast growth factor receptor 1	T47101	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P50613	CDK7	Cyclin-dependent kinase 7	T58449	SwissTargetPrediction
P42574	CASP3	Caspase-3	T57943	SwissTargetPrediction
P30874	SSTR2	Somatostatin receptor 2	T53024	SwissTargetPrediction
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
Q86TI2	DPP9	Dipeptidyl peptidase IX	T66252	SwissTargetPrediction
P30968	GNRHR	Gonadotropin-releasing hormone receptor	T12475	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
Q9UNQ0	ABCG2	ATP-binding cassette sub-family G member 2	T56556	SEA
Q9UHD2	TBK1	Serine/threonine-protein kinase TBK1	T63024	SwissTargetPrediction
P43490	NAMPT	Nicotinamide phosphoribosyltransferase	T54582	SwissTargetPrediction
P25106	ACKR3	C-X-C chemokine receptor type 7	T10491	SwissTargetPrediction
Q9UKP6	UTS2R	Urotensin II receptor	T49072	SwissTargetPrediction
Q14680	MELK	Maternal embryonic leucine zipper kinase	T96892	SwissTargetPrediction
Q15746	MYLK	Myosin light chain kinase, smooth muscle	T97141	SwissTargetPrediction
P10636	MAPT	Microtubule-associated protein tau	T45593	SEA
Q04760	GLO1	Glyoxalase I	T88285	SEA
P61964	WDR5	WD repeat-containing protein 5	T77393	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
Q06418	TYRO3	Tyrosine-protein kinase receptor TYRO3	T94880	SwissTargetPrediction
Q05513	PRKCZ	Protein kinase C (PKC)	T59190	SwissTargetPrediction
P35790	CHKA	Choline kinase alpha	T55709	SwissTargetPrediction
P05129	PRKCG	Protein kinase C gamma	T47107	SwissTargetPrediction
P49682	CXCR3	C-X-C chemokine receptor type 3	T25315	SwissTargetPrediction
O96013	PAK4	Serine/threonine-protein kinase PAK 4	T98293	SwissTargetPrediction
P19438	TNFRSF1A	Tumor necrosis factor receptor R1	T86552	SEA
Q16236	NFE2L2	Nuclear factor erythroid 2-related factor 2	T88505	SEA
Q6PL18	ATAD2	ATPase family AAA domain-containing protein 2	T82467	SwissTargetPrediction
P47901	AVPR1B	Vasopressin V1b receptor	T59881	SwissTargetPrediction
Q9NY47	CACNA2D2	Voltage-gated calcium channel alpha2/delta subunit 2	T28132	SwissTargetPrediction
P48048	KCNJ1	ATP-sensitive inward rectifier potassium channel 1	T78710	SwissTargetPrediction
Q13698	CACNA1S	Voltage-gated L-type calcium channel alpha-1S subunit	T24965	SwissTargetPrediction
Q9Y345	SLC6A5	Glycine transporter 2	T58937	SwissTargetPrediction
Q9H4B7	TUBB1	Tubulin beta-1 chain	T84397	SEA
O43826	SLC37A4	Glucose-6-phosphate translocase	T47306	SEA
Q15349	RPS6KA2	Ribosomal protein S6 kinase alpha 2	T28043	SwissTargetPrediction
P11717	IGF2R	Insulin-like growth factor II receptor	T59550	SEA
P32249	EBI2	EBV-induced G-protein coupled receptor 2	T59577	SEA
P01100	FOS	Proto-oncogene c-Fos	T28025	SEA
Q9NR20	DYRK4	Dual-specificity tyrosine-phosphorylation regulated kinase 4	T20542	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
T34429	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P36544	CHRNA7
T34429	DI0370	Schizophrenia	[ICD-11: 6A20]	P36544	CHRNA7
T16117	DI0173	Headache	[ICD-11: 8A80-8A84]	P29475	NOS1
T16117	DI0264	Migraine	[ICD-11: 8A80]	P29475	NOS1
T06046	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P29474	NOS3
T06273	DI0006	Acquired cutaneous blood vessel malformation	[ICD-11: EF20]	P09874	PARP1
T06273	DI0143	Fallopian tube cancer	[ICD-11: 2C74]	P09874	PARP1
T06273	DI0321	Ovarian cancer	[ICD-11: 2C73]	P09874	PARP1
T06273	DI0334	Peritoneal cancer	[ICD-11: 2C51]	P09874	PARP1
T46360	DI0105	Cough	[ICD-11: MD12]	Q99720	SIGMAR1
T84316	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P54289	CACNA2D1
T84316	DI0190	Hypertension	[ICD-11: BA00-BA04]	P54289	CACNA2D1
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T86462	DI0026	Amyloidosis	[ICD-11: 5D00]	P02766	TTR
T87024	DI0025	Alzheimer disease	[ICD-11: 8A20]	P05067	APP
T87024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P05067	APP
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
T06569	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P23280	CA6
T06569	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P23280	CA6
T31992	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q9ULX7	CA14
T31992	DI0204	Inborn metabolism deficiency	[ICD-11: 5C50-5C59]	Q9ULX7	CA14
T83011	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	P27338	MAOB
T83011	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P27338	MAOB
T83011	DI0190	Hypertension	[ICD-11: BA00-BA04]	P27338	MAOB
T83011	DI0243	Malaria	[ICD-11: 1F40-1F45]	P27338	MAOB
T83011	DI0264	Migraine	[ICD-11: 8A80]	P27338	MAOB
T83011	DI0331	Parkinsonism	[ICD-11: 8A00]	P27338	MAOB
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
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T74166	DI0105	Cough	[ICD-11: MD12]	P32297	CHRNA3
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
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
T60366	DI0020	African trypanosomiasis	[ICD-11: 1F51]	P11926	ODC1
T80896	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q92731	ESR2
T80896	DI0108	Cushing syndrome	[ICD-11: 5A70]	Q92731	ESR2
T80896	DI0254	Menopausal disorder	[ICD-11: GA30]	Q92731	ESR2
T80896	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q92731	ESR2
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
T11754	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	O00519	FAAH
T02562	DI0025	Alzheimer disease	[ICD-11: 8A20]	O14684	PTGES
T21307	DI0011	Acute laryngitis/tracheitis	[ICD-11: CA05]	P49137	MAPKAPK2
T21307	DI0181	Hidradenitis suppurativa	[ICD-11: ED92]	P49137	MAPKAPK2
T21307	DI0269	Monogenic autoinflammatory syndrome	[ICD-11: 4A60]	P49137	MAPKAPK2
T21307	DI0334	Peritoneal cancer	[ICD-11: 2C51]	P49137	MAPKAPK2
T21307	DI0352	Psoriatic arthritis	[ICD-11: FA21]	P49137	MAPKAPK2
T21307	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P49137	MAPKAPK2
T21307	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P49137	MAPKAPK2
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
T11288	DI0167	Gout	[ICD-11: FA25]	P33527	ABCC1
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
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
T62449	DI0027	Anal cancer	[ICD-11: 2C00]	O14757	CHEK1
T62449	DI0172	Head and neck cancer	[ICD-11: 2D42]	O14757	CHEK1
T62449	DI0183	Hodgkin lymphoma	[ICD-11: 2B30]	O14757	CHEK1
T62449	DI0238	Lung cancer	[ICD-11: 2C25]	O14757	CHEK1
T62449	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O14757	CHEK1
T62449	DI0321	Ovarian cancer	[ICD-11: 2C73]	O14757	CHEK1
T62449	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O14757	CHEK1
T62449	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14757	CHEK1
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
T69991	DI0321	Ovarian cancer	[ICD-11: 2C73]	P30291	WEE1
T69991	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P30291	WEE1
T69991	DI0429	Uterine ligament/parametrium/uterine adnexa neoplasm	[ICD-11: 2C72]	P30291	WEE1
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
T85799	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11802	CDK4
T85799	DI0238	Lung cancer	[ICD-11: 2C25]	P11802	CDK4
T85799	DI0351	Psoriasis	[ICD-11: EA90]	P11802	CDK4
T07279	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9P1W9	PIM2
T07279	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9P1W9	PIM2
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
T83145	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P19838	NFKB1
T83145	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P19838	NFKB1
T59604	DI0087	Chronic pain	[ICD-11: MG30]	Q92847	GHSR
T59604	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	Q92847	GHSR
T84780	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	Q13490	BIRC2
T23276	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P11137	MAP2
T23276	DI0252	Melanoma	[ICD-11: 2C30]	P11137	MAP2
T23276	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P11137	MAP2
T23276	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11137	MAP2
T17048	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11388	TOP2A
T17048	DI0225	Kaposi sarcoma	[ICD-11: 2B57]	P11388	TOP2A
T17048	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11388	TOP2A
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
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
T25956	DI0346	Prostate cancer	[ICD-11: 2C82]	Q09472	EP300
T25956	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q09472	EP300
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
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
T63966	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P17948	FLT1
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
T40812	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9UGN5	PARP2
T40812	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UGN5	PARP2
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
T55398	DI0039	Atopic eczema	[ICD-11: EA80]	Q9NWZ3	IRAK4
T55398	DI0109	Cutaneous lupus erythematosus	[ICD-11: EB50-EB5Z]	Q9NWZ3	IRAK4
T55398	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q9NWZ3	IRAK4
T55398	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q9NWZ3	IRAK4
T55398	DI0351	Psoriasis	[ICD-11: EA90]	Q9NWZ3	IRAK4
T55398	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9NWZ3	IRAK4
T94479	DI0025	Alzheimer disease	[ICD-11: 8A20]	P23443	RPS6KB1
T94479	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P23443	RPS6KB1
T94479	DI0419	Ulcerative colitis	[ICD-11: DD71]	P23443	RPS6KB1
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
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
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
T58449	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P50613	CDK7
T58449	DI0238	Lung cancer	[ICD-11: 2C25]	P50613	CDK7
T58449	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P50613	CDK7
T58449	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P50613	CDK7
T57943	DI0060	Brain cancer	[ICD-11: 2A00]	P42574	CASP3
T53024	DI0108	Cushing syndrome	[ICD-11: 5A70]	P30874	SSTR2
T53024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P30874	SSTR2
T53024	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30874	SSTR2
T95913	DI0151	Follicular lymphoma	[ICD-11: 2A80]	P48736	PIK3CG
T95913	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P48736	PIK3CG
T95913	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P48736	PIK3CG
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T66252	DI0300	Neutropenia	[ICD-11: 4B00]	Q86TI2	DPP9
T12475	DI0130	Endometriosis	[ICD-11: GA10]	P30968	GNRHR
T12475	DI0322	Ovarian developmental anomaly	[ICD-11: LB45]	P30968	GNRHR
T12475	DI0323	Ovarian dysfunction	[ICD-11: 5A80]	P30968	GNRHR
T12475	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30968	GNRHR
T12475	DI0346	Prostate cancer	[ICD-11: 2C82]	P30968	GNRHR
T12475	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P30968	GNRHR
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T56556	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9UNQ0	ABCG2
T56556	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9UNQ0	ABCG2
T54582	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	P43490	NAMPT
T54582	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P43490	NAMPT
T54582	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P43490	NAMPT
T10491	DI0037	Asthma	[ICD-11: CA23]	P25106	ACKR3
T10491	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25106	ACKR3
T49072	DI0037	Asthma	[ICD-11: CA23]	Q9UKP6	UTS2R
T96892	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q14680	MELK
T96892	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q14680	MELK
T96892	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q14680	MELK
T96892	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	Q14680	MELK
T96892	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	Q14680	MELK
T96892	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	Q14680	MELK
T97141	DI0127	Duodenal ulcer	[ICD-11: DA63]	Q15746	MYLK
T45593	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P10636	MAPT
T45593	DI0025	Alzheimer disease	[ICD-11: 8A20]	P10636	MAPT
T45593	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P10636	MAPT
T88285	DI0210	Influenza	[ICD-11: 1E30-1E32]	Q04760	GLO1
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T94880	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06418	TYRO3
T59190	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q05513	PRKCZ
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
T25315	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P49682	CXCR3
T25315	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P49682	CXCR3
T25315	DI0351	Psoriasis	[ICD-11: EA90]	P49682	CXCR3
T25315	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P49682	CXCR3
T98293	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O96013	PAK4
T98293	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O96013	PAK4
T86552	DI0060	Brain cancer	[ICD-11: 2A00]	P19438	TNFRSF1A
T86552	DI0321	Ovarian cancer	[ICD-11: 2C73]	P19438	TNFRSF1A
T88505	DI0038	Ataxic disorder	[ICD-11: 8A03]	Q16236	NFE2L2
T59881	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P47901	AVPR1B
T59881	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P47901	AVPR1B
T59881	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P47901	AVPR1B
T84397	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9H4B7	TUBB1
T28043	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q15349	RPS6KA2
T59550	DI0146	Fibrosis	[ICD-11: GA14-GC01]	P11717	IGF2R
T59550	DI0368	Sarcoidosis	[ICD-11: 4B20]	P11717	IGF2R