Compound details

Rostratamine

Compound ID	CDAMM02787
Common name	Rostratamine
IUPAC name	(17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl) pyridine-3-carboxylate
Molecular formula	C₂₇H₃₅NO₇

Experimental data

Retention time	12.89
Adduct	[M+H]+
Actual mz	486.249
Theoretical mz	486.248
Error	2.11
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.0171

Identifiers and class information

Inchi key	GQDQWQRPCUUAFD-ORIVAHKZNA-N
Smiles	O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(O)(C(=O)C)C14C)C=5C=NC=CC5
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID
KNApSAcK ID	C00031197
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	75049006
PlantCyc ID
UNPD ID	UNPD178519
Coconut ID	CNP0264248
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	0
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)	7
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	485.576
Computed dipole moment(dipole)	5.864
Total solvent accessible surface area (SASA)	662.435
Hydrophobic component of SASA (FOSA)	358.466
Hydrophilic component of SASA (FISA)	163.45
Pie component of the SASA (PISA)	140.519
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1345.32
Number of hydrogen bond donors (donorHB)	4
Number of hydrogen bond acceptors (accptHB)	9.45
Free energy of solvation of dipole (dip^2/V)	0.0255621
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0285311
Globularity descriptor (glob)	0.889689
Predicted polarizability in cubic angstroms (QPpolrz)	44.533
Predicted hexadecane/gas partition coefficient (QPlogPC16)	13.727
Predicted octanol/gas partition coefficient (QPlogPoct)	26.266
Predicted water/gas partition coefficient (QPlogPw)	17.003
Predicted octanol/water partition coefficient (QPlogPo/w)	2.569
Predicted aqueous solubility (QPlogS)	-3.928
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.539
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-3.987
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	279.19
Predicted brain/blood partition coefficient (QPlogBB)	-1.235
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	124.576
Predicted skin permeability, log Kp (QPlogKp)	-3.365
PM3 calculated ionization potential (IP(ev))	9.679
PM3 calculated electron affinity (EA(eV))	0.629
Number of likely metabolic reactions (#metab)	8
Prediction of binding to human serum albumin (QPlogKhsa)	0.197
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	85.765
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)	117.55
Number of nitrogen and oxygen atoms (#NandO)	8
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
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
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
O43570	CA12	Carbonic anhydrase XII	T16987	SwissTargetPrediction
Q16790	CA9	Carbonic anhydrase IX	T64567	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P05067	APP	Beta amyloid A4 protein	T87024	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
Q8IXJ6	SIRT2	NAD-dependent deacetylase sirtuin 2	T83904	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P13866	SLC5A1	Sodium/glucose cotransporter 1	T54771	SwissTargetPrediction
P29275	ADORA2B	Adenosine A2b receptor	T86679	SwissTargetPrediction
Q9UBN7	HDAC6	Histone deacetylase 6	T22274	SwissTargetPrediction
Q5T7T8	COX1	Prostaglandin G/H synthase 1	T60529	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
P08185	SERPINA6	Corticosteroid binding globulin	T88452	SEA
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
Q13547	HDAC1	Histone deacetylase 1	T68547	SwissTargetPrediction
P09917	ALOX5	Arachidonate 5-lipoxygenase	T00140	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P62993	GRB2	Growth factor receptor-bound protein 2	T30926	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	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
Q16831	UPP1	Uridine phosphorylase 1 (by homology)	T97388	SwissTargetPrediction
P11802	CDK4	Cyclin-dependent kinase 4	T85799	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P45452	MMP13	Matrix metalloproteinase 13	T34296	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
P09237	MMP7	Matrix metalloproteinase 7	T73475	SwissTargetPrediction
P07711	CTSL	Cathepsin L	T98691	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P11413	G6PD	Glucose-6-phosphate 1-dehydrogenase	T63484	SEA
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SEA
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
Q13627	DYRK1A	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	T92803	SwissTargetPrediction
P24385	CCND1	Cyclin-dependent kinase 4/cyclin D1	T12355	SwissTargetPrediction
P49759	CLK1	Dual specificty protein kinase CLK1	T46685	SwissTargetPrediction
Q9Y463	DYRK1B	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	T82720	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P04062	GBA	Beta-glucocerebrosidase	T84173	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
Q9HAZ1	CLK4	Dual specificity protein kinase CLK4	T98225	SwissTargetPrediction
P11362	FGFR1	Fibroblast growth factor receptor 1	T47101	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P25024	CXCR1	Interleukin-8 receptor A	T00884	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P50750	CDK9	Cyclin-dependent kinase 9	T44458	SwissTargetPrediction
Q00535	CDK5	Cyclin-dependent kinase 5/CDK5 activator 1	T20973	SwissTargetPrediction
P49760	CLK2	Dual specificity protein kinase CLK2	T73725	SwissTargetPrediction
Q00526	CDK3	Cyclin-dependent kinase 3	T22956	SwissTargetPrediction
P31639	SLC5A2	Sodium/glucose cotransporter 2	T30085	SwissTargetPrediction
Q99558	MAP3K14	Mitogen-activated protein kinase kinase kinase 14	T95736	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
Q92793	CREBBP	CREB-binding protein/p53	T03634	SwissTargetPrediction
P49336	CDK8	Cell division protein kinase 8	T10822	SwissTargetPrediction
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
O75908	SOAT2	Acyl coenzyme A:cholesterol acyltransferase 2	T14463	SEA
P37023	ACVRL1	Serine/threonine-protein kinase receptor R3	T36959	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
P29401	TKT	Transketolase	T67754	SwissTargetPrediction
Q00796	SORD	Sorbitol dehydrogenase	T59445	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
Q08828	ADCY1	Brain adenylate cyclase 1	T63609	SwissTargetPrediction
Q5VT25	CDC42BPA	Serine or threonine-protein kinase MRCK-A	T00075	SwissTargetPrediction
O75908	SOAT2	Acyl coenzyme A:cholesterol acyltransferase 2	T14463	SEA
Q00534	CDK6	Cyclin-dependent kinase 6	T89361	SwissTargetPrediction
P07288	KLK3	Prostate specific antigen	T36935	SwissTargetPrediction
Q15393	SF3B3	Splicing factor 3B subunit 3	T96723	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
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
T16987	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O43570	CA12
T16987	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	O43570	CA12
T64567	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16790	CA9
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
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
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
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
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T67162	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P14416	DRD2
T67162	DI0025	Alzheimer disease	[ICD-11: 8A20]	P14416	DRD2
T67162	DI0037	Asthma	[ICD-11: CA23]	P14416	DRD2
T67162	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P14416	DRD2
T67162	DI0051	Bipolar disorder	[ICD-11: 6A60]	P14416	DRD2
T67162	DI0063	Breathing abnormality	[ICD-11: MD11]	P14416	DRD2
T67162	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P14416	DRD2
T67162	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P14416	DRD2
T67162	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14416	DRD2
T67162	DI0124	Digestive system disease	[ICD-11: DE2Z]	P14416	DRD2
T67162	DI0137	Essential hypertension	[ICD-11: BA00]	P14416	DRD2
T67162	DI0142	Faecal incontinence	[ICD-11: ME07]	P14416	DRD2
T67162	DI0156	Gangrene	[ICD-11: MC85]	P14416	DRD2
T67162	DI0166	Glaucoma	[ICD-11: 9C61]	P14416	DRD2
T67162	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P14416	DRD2
T67162	DI0185	Hyperaemia	[ICD-11: 9A61-9B7Y]	P14416	DRD2
T67162	DI0190	Hypertension	[ICD-11: BA00-BA04]	P14416	DRD2
T67162	DI0196	Hypotension	[ICD-11: BA20-BA21]	P14416	DRD2
T67162	DI0205	Inborn porphyrin/heme metabolism error	[ICD-11: 5C58]	P14416	DRD2
T67162	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14416	DRD2
T67162	DI0222	Itching	[ICD-11: 1F28-1G07]	P14416	DRD2
T67162	DI0264	Migraine	[ICD-11: 8A80]	P14416	DRD2
T67162	DI0293	Nausea/vomiting	[ICD-11: MD90]	P14416	DRD2
T67162	DI0324	Pain	[ICD-11: MG30-MG3Z]	P14416	DRD2
T67162	DI0331	Parkinsonism	[ICD-11: 8A00]	P14416	DRD2
T67162	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P14416	DRD2
T67162	DI0340	Postpartum haemorrhage	[ICD-11: JA43]	P14416	DRD2
T67162	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P14416	DRD2
T67162	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P14416	DRD2
T67162	DI0370	Schizophrenia	[ICD-11: 6A20]	P14416	DRD2
T67162	DI0396	Substance abuse	[ICD-11: 6C40]	P14416	DRD2
T67162	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P14416	DRD2
T67162	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P14416	DRD2
T83904	DI0365	Retinopathy	[ICD-11: 9B71]	Q8IXJ6	SIRT2
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T54771	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P13866	SLC5A1
T54771	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P13866	SLC5A1
T54771	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P13866	SLC5A1
T86679	DI0180	Herpes simplex infection	[ICD-11: 1F00]	P29275	ADORA2B
T86679	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P29275	ADORA2B
T22274	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9UBN7	HDAC6
T22274	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UBN7	HDAC6
T60529	DI0141	Eye anterior segment structural developmental anomaly	[ICD-11: LA11]	Q5T7T8	COX1
T60529	DI0145	Female pelvic pain	[ICD-11: GA34]	Q5T7T8	COX1
T60529	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q5T7T8	COX1
T60529	DI0207	Indeterminate colitis	[ICD-11: DD72]	Q5T7T8	COX1
T60529	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q5T7T8	COX1
T60529	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q5T7T8	COX1
T60529	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q5T7T8	COX1
T60529	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q5T7T8	COX1
T60529	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q5T7T8	COX1
T60529	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	Q5T7T8	COX1
T60529	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	Q5T7T8	COX1
T60529	DI0419	Ulcerative colitis	[ICD-11: DD71]	Q5T7T8	COX1
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
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
T88452	DI0037	Asthma	[ICD-11: CA23]	P08185	SERPINA6
T88452	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P08185	SERPINA6
T88452	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08185	SERPINA6
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
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T08856	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P22894	MMP8
T86702	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P08254	MMP3
T86702	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	P08254	MMP3
T86702	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P08254	MMP3
T86702	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P08254	MMP3
T86702	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P08254	MMP3
T86702	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P08254	MMP3
T86702	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P08254	MMP3
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
T68547	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q13547	HDAC1
T68547	DI0283	Mycosis fungoides	[ICD-11: 2B01]	Q13547	HDAC1
T00140	DI0037	Asthma	[ICD-11: CA23]	P09917	ALOX5
T00140	DI0147	Filariasis	[ICD-11: 1F66]	P09917	ALOX5
T00140	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09917	ALOX5
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
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
T30926	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P62993	GRB2
T30926	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P62993	GRB2
T30926	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P62993	GRB2
T30926	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P62993	GRB2
T30926	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P62993	GRB2
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
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
T97388	DI0292	Nasopharyngitis	[ICD-11: CA00]	Q16831	UPP1
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
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T34296	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45452	MMP13
T82393	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P78536	ADAM17
T82393	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P78536	ADAM17
T73475	DI0238	Lung cancer	[ICD-11: 2C25]	P09237	MMP7
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
T61746	DI0023	Alopecia	[ICD-11: ED70]	P07858	CTSB
T61746	DI0025	Alzheimer disease	[ICD-11: 8A20]	P07858	CTSB
T61746	DI0037	Asthma	[ICD-11: CA23]	P07858	CTSB
T61746	DI0055	Bone cancer	[ICD-11: 2B5Z]	P07858	CTSB
T61746	DI0060	Brain cancer	[ICD-11: 2A00]	P07858	CTSB
T61746	DI0067	Cardiac arrest	[ICD-11: MC82]	P07858	CTSB
T61746	DI0074	Cerebral ischaemic stroke	[ICD-11: 8B11]	P07858	CTSB
T61746	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P07858	CTSB
T61746	DI0087	Chronic pain	[ICD-11: MG30]	P07858	CTSB
T61746	DI0110	Cystic fibrosis	[ICD-11: CA25]	P07858	CTSB
T61746	DI0124	Digestive system disease	[ICD-11: DE2Z]	P07858	CTSB
T61746	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P07858	CTSB
T61746	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P07858	CTSB
T61746	DI0253	Meningioma	[ICD-11: 2A01]	P07858	CTSB
T61746	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	P07858	CTSB
T61746	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07858	CTSB
T61746	DI0296	Neurodegenerative disorder	[ICD-11: 8A20-8A23]	P07858	CTSB
T61746	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P07858	CTSB
T61746	DI0351	Psoriasis	[ICD-11: EA90]	P07858	CTSB
T61746	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P07858	CTSB
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
T63484	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11413	G6PD
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
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
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
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
T92803	DI0113	Cytomegaloviral disease	[ICD-11: 1D82]	Q13627	DYRK1A
T12355	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P24385	CCND1
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
T84173	DI0257	Metabolic disorder	[ICD-11: 5C50-5D2Z]	P04062	GBA
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
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
T00884	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25024	CXCR1
T07173	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04629	NTRK1
T07173	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04629	NTRK1
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
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
T20973	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q00535	CDK5
T22956	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	Q00526	CDK3
T30085	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P31639	SLC5A2
T30085	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P31639	SLC5A2
T30085	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P31639	SLC5A2
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T03634	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q92793	CREBBP
T03634	DI0346	Prostate cancer	[ICD-11: 2C82]	Q92793	CREBBP
T03634	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q92793	CREBBP
T03634	DI0399	Systemic sclerosis	[ICD-11: 4A42]	Q92793	CREBBP
T10822	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P49336	CDK8
T10822	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P49336	CDK8
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
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
T14463	DI0017	Adrenal cancer	[ICD-11: 2D11]	O75908	SOAT2
T36959	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P37023	ACVRL1
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T63609	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q08828	ADCY1
T14463	DI0017	Adrenal cancer	[ICD-11: 2D11]	O75908	SOAT2
T89361	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q00534	CDK6
T89361	DI0238	Lung cancer	[ICD-11: 2C25]	Q00534	CDK6
T89361	DI0351	Psoriasis	[ICD-11: EA90]	Q00534	CDK6
T36935	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P07288	KLK3
T36935	DI0346	Prostate cancer	[ICD-11: 2C82]	P07288	KLK3
T36935	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P07288	KLK3
T96723	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q15393	SF3B3
T96723	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	Q15393	SF3B3
T96723	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	Q15393	SF3B3