Compound details

(+)-Nepapakistamine A

Compound ID	CDAMM01339
Common name	(+)-Nepapakistamine A
IUPAC name	[4-acetyloxy-10,13-dimethyl-17-[1-(methylamino)ethyl]-3-(2-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
Molecular formula	C₃₁H₄₈N₂O₅

Experimental data

Retention time	14.85
Adduct	[M+H]+
Actual mz	529.365
Theoretical mz	529.363
Error	4.2
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.7354

Identifiers and class information

Inchi key	RDGDPUWHVFLIIR-ULMHNFMSNA-N
Smiles	O=C(OC1CC2(C)C(CCC3C4CC=C(C(NC)C)C4(C)CCC32)C(OC(=O)C)C1NC(=O)C(=CC)C)C
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Cinnamomum verum J. Presl

External sources

HMDB ID
KNApSAcK ID	C00045479
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	163046659
PlantCyc ID
UNPD ID	UNPD92895
Coconut ID	CNP0328956
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	1
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)	3
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	528.731
Computed dipole moment(dipole)	7.221
Total solvent accessible surface area (SASA)	874.56
Hydrophobic component of SASA (FOSA)	716.094
Hydrophilic component of SASA (FISA)	124.031
Pie component of the SASA (PISA)	34.434
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1704.66
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	8
Free energy of solvation of dipole (dip^2/V)	0.0305908
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0129365
Globularity descriptor (glob)	0.789104
Predicted polarizability in cubic angstroms (QPpolrz)	58.543
Predicted hexadecane/gas partition coefficient (QPlogPC16)	15.617
Predicted octanol/gas partition coefficient (QPlogPoct)	26.938
Predicted water/gas partition coefficient (QPlogPw)	12.388
Predicted octanol/water partition coefficient (QPlogPo/w)	5.149
Predicted aqueous solubility (QPlogS)	-6.895
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.703
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.835
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	164.669
Predicted brain/blood partition coefficient (QPlogBB)	-0.728
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	77.89
Predicted skin permeability, log Kp (QPlogKp)	-5.171
PM3 calculated ionization potential (IP(ev))	9.425
PM3 calculated electron affinity (EA(eV))	-0.055
Number of likely metabolic reactions (#metab)	5
Prediction of binding to human serum albumin (QPlogKhsa)	1.363
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	70.852
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)	111.513
Number of nitrogen and oxygen atoms (#NandO)	7
Number of violations of Lipinski’s rule of five (RuleOfFive)	2
Number of violations of Jorgensen’s rule of three (RuleOfThree)	1

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
P22303	ACHE	Acetylcholinesterase	T30082	SwissTargetPrediction
P20309	CHRM3	Muscarinic acetylcholine receptor M3	T67684	SwissTargetPrediction
Q86X55	CARM1	Histone-arginine methyltransferase CARM1	T12837	SwissTargetPrediction
Q16790	CA9	Carbonic anhydrase IX	T64567	SwissTargetPrediction
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P42785	PRCP	Lysosomal Pro-X carboxypeptidase	T20371	SwissTargetPrediction
P28222	HTR1B	Serotonin 1b (5-HT1b) receptor	T07806	SwissTargetPrediction
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P00747	PLG	Plasminogen	T89034	SwissTargetPrediction
P07384	CAPN1	Calpain 1	T92517	SwissTargetPrediction
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
Q04609	FOLH1	Glutamate carboxypeptidase II	T97071	SwissTargetPrediction
Q9UM73	ALK	ALK tyrosine kinase receptor	T56418	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	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
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
P49327	FASN	Fatty acid synthase	T16514	SwissTargetPrediction
P08172	CHRM2	Muscarinic acetylcholine receptor M2	T46185	SwissTargetPrediction
P30559	OXTR	Oxytocin receptor (by homology)	T84486	SwissTargetPrediction
P37288	AVPR1A	Vasopressin V1a receptor (by homology)	T79232	SwissTargetPrediction
P30518	AVPR2	Vasopressin V2 receptor (by homology)	T66237	SwissTargetPrediction
Q92847	GHSR	Ghrelin receptor	T59604	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P00750	PLAT	Tissue-type plasminogen activator	T45299	SwissTargetPrediction
Q9HAN5	TRP1	Cationic trypsinogen	T27602	SwissTargetPrediction
Q13489	BIRC3	Baculoviral IAP repeat-containing protein 3	T35173	SwissTargetPrediction
O43193	MLNR	Motilin receptor	T62306	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SEA
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
Q02156	PRKCE	Protein kinase C epsilon	T00895	SwissTargetPrediction
O15111	CHUK	Inhibitor of NF-kappa-B kinase (IKK)	T78429	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P33981	TTK	Dual specificity protein kinase TTK	T74977	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
Q05655	PRKCD	Protein kinase C delta	T44861	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P23526	AHCY	Adenosylhomocysteinase	T68698	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P21730	C5AR1	C5a anaphylatoxin chemotactic receptor	T15439	SwissTargetPrediction
P41146	OPRL1	Nociceptin receptor	T52921	SwissTargetPrediction
P25929	NPY1R	Neuropeptide Y receptor type 1	T89213	SwissTargetPrediction
P30874	SSTR2	Somatostatin receptor 2	T53024	SwissTargetPrediction
P30872	SSTR1	Somatostatin receptor 1	T16633	SwissTargetPrediction
P32745	SSTR3	Somatostatin receptor 3	T13644	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
Q13976	PRKG1	cGMP-dependent protein kinase 1 beta	T78543	SwissTargetPrediction
Q04759	PRKCQ	Protein kinase C theta	T23995	SwissTargetPrediction
Q9H244	P2RY12	Purinergic receptor P2Y12 (by homology)	T46937	SwissTargetPrediction
P41180	CASR	Calcium sensing receptor	T92076	SwissTargetPrediction
P00749	PLAU	Urokinase-type plasminogen activator	T17758	SwissTargetPrediction
P32238	CCKAR	Cholecystokinin A receptor	T28330	SwissTargetPrediction
Q16602	CALCRL	Calcitonin gene-related peptide type 1 receptor	T02226	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
Q06187	BTK	Tyrosine-protein kinase BTK	T97719	SwissTargetPrediction
P03952	KLKB1	Plasma kallikrein	T82739	SwissTargetPrediction
P46663	BDKRB1	Bradykinin B1 receptor	T58589	SwissTargetPrediction
P53671	LIMK2	LIM domain kinase 2	T09133	SwissTargetPrediction
P50053	KHK	Ketohexokinase	T79326	SwissTargetPrediction
P51685	CCR8	C-C chemokine receptor type 8	T20575	SwissTargetPrediction
P21452	TACR2	Neurokinin 2 receptor	T52790	SwissTargetPrediction
P25106	ACKR3	C-X-C chemokine receptor type 7	T10491	SwissTargetPrediction
P53609	PGGT1B	Geranylgeranyl transferase type I	T76396	SwissTargetPrediction
O15151	MDM4	Protein Mdm4	T36741	SwissTargetPrediction
Q9UKP6	UTS2R	Urotensin II receptor	T49072	SwissTargetPrediction
Q14680	MELK	Maternal embryonic leucine zipper kinase	T96892	SwissTargetPrediction
P29371	TACR3	Neurokinin 3 receptor	T29683	SwissTargetPrediction
Q15910	EZH2	EZH2/SUZ12/EED/RBBP7/RBBP4	T25265	SwissTargetPrediction
Q12866	MERTK	Proto-oncogene tyrosine-protein kinase MER	T55781	SwissTargetPrediction
Q06418	TYRO3	Tyrosine-protein kinase receptor TYRO3	T94880	SwissTargetPrediction
Q05513	PRKCZ	Protein kinase C (PKC)	T59190	SwissTargetPrediction
P61073	CXCR4	C-X-C chemokine receptor type 4	T96079	SwissTargetPrediction
Q15661	TPSAB1	Tryptase beta-1	T14558	SwissTargetPrediction
P03951	F11	Coagulation factor XI	T46040	SwissTargetPrediction
Q9Y5Y6	ST14	Matriptase	T31543	SwissTargetPrediction
O43497	CACNA1G	Voltage-gated T-type calcium channel alpha-1G subunit	T64795	SwissTargetPrediction
P05129	PRKCG	Protein kinase C gamma	T47107	SwissTargetPrediction
P30530	AXL	Tyrosine-protein kinase receptor UFO	T82383	SwissTargetPrediction
P49682	CXCR3	C-X-C chemokine receptor type 3	T25315	SwissTargetPrediction
Q99500	S1PR3	Sphingosine 1-phosphate receptor Edg-3	T11241	SwissTargetPrediction
Q9H7B4	SMYD3	Histone-lysine N-methyltransferase SMYD3	T35792	SwissTargetPrediction
Q00975	CACNA1B	Voltage-gated N-type calcium channel alpha-1B subunit	T38338	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
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
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
T64567	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16790	CA9
T13201	DI0166	Glaucoma	[ICD-11: 9C61]	P00915	CA1
T13201	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00915	CA1
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
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
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
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
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T89034	DI0030	Angina pectoris	[ICD-11: BA40]	P00747	PLG
T89034	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00747	PLG
T89034	DI0254	Menopausal disorder	[ICD-11: GA30]	P00747	PLG
T89034	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00747	PLG
T89034	DI0345	Procedure injury	[ICD-11: NE81]	P00747	PLG
T89034	DI0357	Pulmonary thromboembolism	[ICD-11: BB00]	P00747	PLG
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
T97071	DI0122	Diagnostic imaging	[ICD-11: N.A.]	Q04609	FOLH1
T97071	DI0346	Prostate cancer	[ICD-11: 2C82]	Q04609	FOLH1
T56418	DI0238	Lung cancer	[ICD-11: 2C25]	Q9UM73	ALK
T56418	DI0251	Mature T-cell lymphoma	[ICD-11: 2A90]	Q9UM73	ALK
T56418	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	Q9UM73	ALK
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
T28484	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P52732	KIF11
T28484	DI0172	Head and neck cancer	[ICD-11: 2D42]	P52732	KIF11
T28484	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P52732	KIF11
T28484	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P52732	KIF11
T28484	DI0274	Multiple myeloma	[ICD-11: 2A83]	P52732	KIF11
T28484	DI0321	Ovarian cancer	[ICD-11: 2C73]	P52732	KIF11
T28484	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P52732	KIF11
T28484	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P52732	KIF11
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
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
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
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
T16514	DI0096	concerning food/fluid intake symptom	[ICD-11: MG43]	P49327	FASN
T46185	DI0037	Asthma	[ICD-11: CA23]	P08172	CHRM2
T46185	DI0166	Glaucoma	[ICD-11: 9C61]	P08172	CHRM2
T46185	DI0278	Muscle disorder	[ICD-11: FB32-FB3Z]	P08172	CHRM2
T46185	DI0333	Peptic ulcer	[ICD-11: DA61]	P08172	CHRM2
T46185	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08172	CHRM2
T46185	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P08172	CHRM2
T84486	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P30559	OXTR
T84486	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P30559	OXTR
T84486	DI0340	Postpartum haemorrhage	[ICD-11: JA43]	P30559	OXTR
T79232	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37288	AVPR1A
T79232	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P37288	AVPR1A
T79232	DI0190	Hypertension	[ICD-11: BA00-BA04]	P37288	AVPR1A
T79232	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P37288	AVPR1A
T79232	DI0236	Localisation	[ICD-11: N.A.]	P37288	AVPR1A
T66237	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P30518	AVPR2
T66237	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P30518	AVPR2
T66237	DI0131	Enuresis	[ICD-11: 6C00]	P30518	AVPR2
T66237	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P30518	AVPR2
T66237	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30518	AVPR2
T66237	DI0338	Polyuria	[ICD-11: MF55]	P30518	AVPR2
T59604	DI0087	Chronic pain	[ICD-11: MG30]	Q92847	GHSR
T59604	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	Q92847	GHSR
T58992	DI0059	Bowel habit change	[ICD-11: ME05]	P41143	OPRD1
T58992	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P41143	OPRD1
T58992	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41143	OPRD1
T84631	DI0053	Blood-forming organ disease	[ICD-11: 3C0Z]	P00742	F10
T84631	DI0080	Christmas disease	[ICD-11: 3B11]	P00742	F10
T84631	DI0091	Coagulation defect	[ICD-11: 3B10]	P00742	F10
T84631	DI0103	Coronary thrombosis	[ICD-11: BA43]	P00742	F10
T84631	DI0114	Deep vein thrombosis	[ICD-11: BD71]	P00742	F10
T84631	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P00742	F10
T84631	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00742	F10
T84631	DI0433	Venous thromboembolism	[ICD-11: BD72]	P00742	F10
T45299	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00750	PLAT
T45299	DI0345	Procedure injury	[ICD-11: NE81]	P00750	PLAT
T27602	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	Q9HAN5	TRP1
T27602	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9HAN5	TRP1
T35173	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	Q13489	BIRC3
T62306	DI0124	Digestive system disease	[ICD-11: DE2Z]	O43193	MLNR
T62306	DI0159	Gastroduodenal motor/secretory disorder	[ICD-11: DA41]	O43193	MLNR
T62306	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	O43193	MLNR
T62306	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	O43193	MLNR
T62306	DI0324	Pain	[ICD-11: MG30-MG3Z]	O43193	MLNR
T89041	DI0346	Prostate cancer	[ICD-11: 2C82]	P05093	CYP17A1
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
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
T78429	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O15111	CHUK
T67849	DI0151	Follicular lymphoma	[ICD-11: 2A80]	O00329	PIK3CD
T67849	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00329	PIK3CD
T67849	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	O00329	PIK3CD
T67849	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O00329	PIK3CD
T67849	DI0395	Stomach cancer	[ICD-11: 2B72]	O00329	PIK3CD
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
T74977	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P33981	TTK
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
T44861	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q05655	PRKCD
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
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
T89213	DI0050	Binge eating disorder	[ICD-11: 6B82]	P25929	NPY1R
T89213	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P25929	NPY1R
T89213	DI0174	Heart disease	[ICD-11: BA41-BA42]	P25929	NPY1R
T89213	DI0190	Hypertension	[ICD-11: BA00-BA04]	P25929	NPY1R
T89213	DI0308	Obesity	[ICD-11: 5B80-5B81]	P25929	NPY1R
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
T16633	DI0108	Cushing syndrome	[ICD-11: 5A70]	P30872	SSTR1
T16633	DI0395	Stomach cancer	[ICD-11: 2B72]	P30872	SSTR1
T13644	DI0108	Cushing syndrome	[ICD-11: 5A70]	P32745	SSTR3
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T23995	DI0413	Transplant rejection	[ICD-11: NE84]	Q04759	PRKCQ
T46937	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q9H244	P2RY12
T46937	DI0405	Thrombosis	[ICD-11: DB61-GB90]	Q9H244	P2RY12
T92076	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P41180	CASR
T17758	DI0211	Inherited coagulation factor deficiency	[ICD-11: 3B14]	P00749	PLAU
T17758	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00749	PLAU
T28330	DI0210	Influenza	[ICD-11: 1E30-1E32]	P32238	CCKAR
T28330	DI0328	Pancreatic malfunction	[ICD-11: DC30-DC3Z]	P32238	CCKAR
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T97719	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	Q06187	BTK
T82739	DI0213	Innate/adaptive immunodeficiency	[ICD-11: 4A00]	P03952	KLKB1
T82739	DI0364	Retinal vascular occlusion	[ICD-11: 9B74]	P03952	KLKB1
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
T20575	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P51685	CCR8
T52790	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P21452	TACR2
T10491	DI0037	Asthma	[ICD-11: CA23]	P25106	ACKR3
T10491	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25106	ACKR3
T76396	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P53609	PGGT1B
T36741	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O15151	MDM4
T36741	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O15151	MDM4
T36741	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O15151	MDM4
T36741	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O15151	MDM4
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
T29683	DI0254	Menopausal disorder	[ICD-11: GA30]	P29371	TACR3
T25265	DI0151	Follicular lymphoma	[ICD-11: 2A80]	Q15910	EZH2
T55781	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q12866	MERTK
T55781	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q12866	MERTK
T55781	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	Q12866	MERTK
T55781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q12866	MERTK
T94880	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06418	TYRO3
T59190	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q05513	PRKCZ
T96079	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P61073	CXCR4
T96079	DI0274	Multiple myeloma	[ICD-11: 2A83]	P61073	CXCR4
T14558	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	Q15661	TPSAB1
T14558	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q15661	TPSAB1
T46040	DI0074	Cerebral ischaemic stroke	[ICD-11: 8B11]	P03951	F11
T46040	DI0089	Clotting disorder	[ICD-11: 3B4Z]	P03951	F11
T64795	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	O43497	CACNA1G
T64795	DI0190	Hypertension	[ICD-11: BA00-BA04]	O43497	CACNA1G
T64795	DI0276	Multiple structural anomalies syndrome	[ICD-11: LD2F]	O43497	CACNA1G
T64795	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O43497	CACNA1G
T64795	DI0370	Schizophrenia	[ICD-11: 6A20]	O43497	CACNA1G
T47107	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P05129	PRKCG
T47107	DI0248	Mastocytosis	[ICD-11: 2A21]	P05129	PRKCG
T82383	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P30530	AXL
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
T11241	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q99500	S1PR3
T35792	DI0094	Colon cancer	[ICD-11: 2B90]	Q9H7B4	SMYD3
T35792	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9H7B4	SMYD3
T38338	DI0264	Migraine	[ICD-11: 8A80]	Q00975	CACNA1B
T38338	DI0305	Non-thrombocytopenic purpura	[ICD-11: 3B60]	Q00975	CACNA1B
T38338	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q00975	CACNA1B