Compound details

Deacetylvindoline

Compound ID	CDAMM00338
Common name	Deacetylvindoline
IUPAC name	methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Molecular formula	C₂₃H₃₀N₂O₅

Experimental data

Retention time	23.621
Adduct	[M+H]+
Actual mz	415.218
Theoretical mz	415.223
Error	11.43
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.09

Identifiers and class information

Inchi key	ZDKMPOJNYNVYLA-HGYIZSBQNA-N
Smiles	O=C(OC)C1(O)C(O)C2(C=CCN3CCC4(C5=CC=C(OC)C=C5N(C)C14)C32)CC
Superclass	Alkaloids and derivatives
Class	Plumeran-type alkaloids

Plant source

Pedalium murex L.

External sources

HMDB ID
KNApSAcK ID	C00024529
FooDB ID
DrugBank ID
ChEBI ID	CHEBI:18362
Pubchem Compound ID	260534
PlantCyc ID	17-O-DEACETYLVINDOLI
UNPD ID	UNPD182844
Coconut ID
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)	5
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	1
Molecular weight (mol_MW)	414.5
Computed dipole moment(dipole)	2.367
Total solvent accessible surface area (SASA)	643.968
Hydrophobic component of SASA (FOSA)	431.316
Hydrophilic component of SASA (FISA)	81.138
Pie component of the SASA (PISA)	131.514
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1231.44
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	7.2
Free energy of solvation of dipole (dip^2/V)	0.0045505
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0111807
Globularity descriptor (glob)	0.8628
Predicted polarizability in cubic angstroms (QPpolrz)	41.174
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.393
Predicted octanol/gas partition coefficient (QPlogPoct)	18.715
Predicted water/gas partition coefficient (QPlogPw)	10.169
Predicted octanol/water partition coefficient (QPlogPo/w)	2.557
Predicted aqueous solubility (QPlogS)	-2.113
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.216
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.832
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	104.778
Predicted brain/blood partition coefficient (QPlogBB)	0.333
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	52.861
Predicted skin permeability, log Kp (QPlogKp)	-6.197
PM3 calculated ionization potential (IP(ev))	8.397
PM3 calculated electron affinity (EA(eV))	-0.268
Number of likely metabolic reactions (#metab)	5
Prediction of binding to human serum albumin (QPlogKhsa)	0.355
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	78.077
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)	77.32
Number of nitrogen and oxygen atoms (#NandO)	7
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
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
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P55210	CASP7	Caspase-7	T72252	SwissTargetPrediction
P22748	CA4	Carbonic anhydrase IV	T53378	SwissTargetPrediction
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SwissTargetPrediction
P08588	ADRB1	Beta-1 adrenergic receptor	T44068	SwissTargetPrediction
P11086	PNMT	Phenylethanolamine N-methyltransferase	T56496	SwissTargetPrediction
P00491	PNP	Purine nucleoside phosphorylase	T78198	SwissTargetPrediction
P12955	PEPD	Xaa-Pro dipeptidase	T94823	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
P07339	CTSD	Cathepsin D	T67102	SwissTargetPrediction
P14902	IDO1	Indoleamine 2,3-dioxygenase	T89697	SwissTargetPrediction
Q9NYA1	SPHK1	Sphingosine kinase 1	T86014	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P08069	IGF1R	Insulin-like growth factor I receptor	T48069	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P07550	ADRB2	Adrenergic receptor beta	T52522	SwissTargetPrediction
P13945	ADRB3	Beta-3 adrenergic receptor	T51408	SwissTargetPrediction
Q13639	HTR4	Serotonin 4 (5-HT4) receptor	T59679	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P45452	MMP13	Matrix metalloproteinase 13	T34296	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P18054	ALOX12	Arachidonate 12-lipoxygenase	T35527	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P11388	TOP2A	DNA topoisomerase II alpha	T17048	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
Q13418	ILK	Serine/threonine-protein kinase ILK-1	T13616	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
O96017	CHEK2	Serine/threonine-protein kinase Chk2	T28713	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
P29466	CASP1	Caspase-1	T98269	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P49286	MTNR1B	Melatonin receptor 1B	T48268	SEA
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
Q9UQ81	MCH5	Caspase-8	T15700	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
P78527	PRKDC	DNA-dependent protein kinase	T81735	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
Q86TI2	DPP9	Dipeptidyl peptidase IX	T66252	SwissTargetPrediction
P41180	CASR	Calcium sensing receptor	T92076	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
Q9UKP6	UTS2R	Urotensin II receptor	T49072	SwissTargetPrediction
P41240	CSK	Tyrosine-protein kinase CSK	T08741	SwissTargetPrediction
Q99873	PRMT1	Protein-arginine N-methyltransferase 1	T16808	SwissTargetPrediction
P30939	HTR1F	Serotonin 1f (5-HT1f) receptor	T78656	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
Q15759	MAPK11	MAP kinase p38 beta	T55729	SwissTargetPrediction
Q14123	PDE1C	Phosphodiesterase 1C	T92439	SwissTargetPrediction
Q13224	GRIN2B	Glutamate [NMDA] receptor subunit epsilon 2	T76414	SwissTargetPrediction
Q9NRA0	SPHK2	Sphingosine kinase 2	T31989	SwissTargetPrediction
Q13126	MTAP	S-methyl-5-thioadenosine phosphorylase	T40787	SwissTargetPrediction
P53634	CTSC	Dipeptidyl peptidase I	T70490	SwissTargetPrediction
Q9HCR9	PDE11A	Phosphodiesterase 11A	T99802	SwissTargetPrediction
P48048	KCNJ1	ATP-sensitive inward rectifier potassium channel 1	T78710	SwissTargetPrediction
Q8NET8	TRPV3	Transient receptor potential cation channel subfamily V member 3	T58496	SwissTargetPrediction
O43895	XPNPEP2	Xaa-Pro aminopeptidase 2	T68320	SwissTargetPrediction
Q9UIF8	BAZ2B	Bromodomain adjacent to zinc finger domain protein 2B	T15745	SwissTargetPrediction
P51843	NR0B1	Orphan nuclear receptor DAX-1	T23191	SEA

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
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
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
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
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T72252	DI0110	Cystic fibrosis	[ICD-11: CA25]	P55210	CASP7
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
T44068	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P08588	ADRB1
T44068	DI0037	Asthma	[ICD-11: CA23]	P08588	ADRB1
T44068	DI0068	Cardiac arrhythmia	[ICD-11: BC9Z]	P08588	ADRB1
T44068	DI0071	Central and peripheral nervous disease	[ICD-11: 8A04-8E7Z]	P08588	ADRB1
T44068	DI0088	Circulatory system disease	[ICD-11: BE2Z]	P08588	ADRB1
T44068	DI0097	Conduction disorder	[ICD-11: BC63]	P08588	ADRB1
T44068	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P08588	ADRB1
T44068	DI0137	Essential hypertension	[ICD-11: BA00]	P08588	ADRB1
T44068	DI0166	Glaucoma	[ICD-11: 9C61]	P08588	ADRB1
T44068	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08588	ADRB1
T44068	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08588	ADRB1
T44068	DI0264	Migraine	[ICD-11: 8A80]	P08588	ADRB1
T44068	DI0375	Sepsis	[ICD-11: 1G40-1G41]	P08588	ADRB1
T44068	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P08588	ADRB1
T44068	DI0434	Ventricular tachyarrhythmia	[ICD-11: BC71]	P08588	ADRB1
T78198	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P00491	PNP
T78198	DI0167	Gout	[ICD-11: FA25]	P00491	PNP
T78198	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P00491	PNP
T78198	DI0283	Mycosis fungoides	[ICD-11: 2B01]	P00491	PNP
T78198	DI0351	Psoriasis	[ICD-11: EA90]	P00491	PNP
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
T67102	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07339	CTSD
T89697	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14902	IDO1
T86014	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9NYA1	SPHK1
T86014	DI0353	Psychoactive substances use disorder	[ICD-11: 6C4G]	Q9NYA1	SPHK1
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
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
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
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
T02551	DI0051	Bipolar disorder	[ICD-11: 6A60]	P35462	DRD3
T02551	DI0331	Parkinsonism	[ICD-11: 8A00]	P35462	DRD3
T22118	DI0003	Abortion	[ICD-11: JA00]	P21728	DRD1
T22118	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21728	DRD1
T22118	DI0190	Hypertension	[ICD-11: BA00-BA04]	P21728	DRD1
T22118	DI0331	Parkinsonism	[ICD-11: 8A00]	P21728	DRD1
T52522	DI0037	Asthma	[ICD-11: CA23]	P07550	ADRB2
T52522	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P07550	ADRB2
T52522	DI0097	Conduction disorder	[ICD-11: BC63]	P07550	ADRB2
T52522	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P07550	ADRB2
T52522	DI0387	Sleep-related breathing disorder	[ICD-11: 7A4Z]	P07550	ADRB2
T51408	DI0030	Angina pectoris	[ICD-11: BA40]	P13945	ADRB3
T51408	DI0037	Asthma	[ICD-11: CA23]	P13945	ADRB3
T51408	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P13945	ADRB3
T51408	DI0129	Dystonic disorder	[ICD-11: 8A02]	P13945	ADRB3
T51408	DI0154	Functional bladder disorder	[ICD-11: GC50]	P13945	ADRB3
T51408	DI0190	Hypertension	[ICD-11: BA00-BA04]	P13945	ADRB3
T51408	DI0331	Parkinsonism	[ICD-11: 8A00]	P13945	ADRB3
T59679	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	Q13639	HTR4
T59679	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q13639	HTR4
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
T47768	DI0013	Acute pain	[ICD-11: MG31]	P35372	OPRM1
T47768	DI0059	Bowel habit change	[ICD-11: ME05]	P35372	OPRM1
T47768	DI0087	Chronic pain	[ICD-11: MG30]	P35372	OPRM1
T47768	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P35372	OPRM1
T47768	DI0105	Cough	[ICD-11: MD12]	P35372	OPRM1
T47768	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35372	OPRM1
T47768	DI0124	Digestive system disease	[ICD-11: DE2Z]	P35372	OPRM1
T47768	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P35372	OPRM1
T47768	DI0228	Large intestine motility disorder	[ICD-11: DB32]	P35372	OPRM1
T47768	DI0317	Opioid use disorder	[ICD-11: 6C43]	P35372	OPRM1
T47768	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35372	OPRM1
T47768	DI0349	Pruritus	[ICD-11: EC90]	P35372	OPRM1
T47768	DI0374	Sensation disturbance	[ICD-11: MB40]	P35372	OPRM1
T53381	DI0166	Glaucoma	[ICD-11: 9C61]	P25100	ADRA1D
T53381	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P25100	ADRA1D
T53381	DI0190	Hypertension	[ICD-11: BA00-BA04]	P25100	ADRA1D
T53381	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P25100	ADRA1D
T53381	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P25100	ADRA1D
T53381	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25100	ADRA1D
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T14597	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P04626	ERBB2
T14597	DI0238	Lung cancer	[ICD-11: 2C25]	P04626	ERBB2
T14597	DI0346	Prostate cancer	[ICD-11: 2C82]	P04626	ERBB2
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
T63505	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00519	ABL1
T63505	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00519	ABL1
T63505	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P00519	ABL1
T63505	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00519	ABL1
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
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
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
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
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
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
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
T13616	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q13418	ILK
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
T28713	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O96017	CHEK2
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
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
T98269	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P29466	CASP1
T98269	DI0146	Fibrosis	[ICD-11: GA14-GC01]	P29466	CASP1
T98269	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P29466	CASP1
T98269	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P29466	CASP1
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
T48268	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P49286	MTNR1B
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
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
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
T15700	DI0120	Diabetes mellitus	[ICD-11: 5A10]	Q9UQ81	MCH5
T15700	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UQ81	MCH5
T07663	DI0190	Hypertension	[ICD-11: BA00-BA04]	O76074	PDE5A
T07663	DI0213	Innate/adaptive immunodeficiency	[ICD-11: 4A00]	O76074	PDE5A
T07663	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	O76074	PDE5A
T07663	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	O76074	PDE5A
T81735	DI0360	Rectum cancer	[ICD-11: 2B92]	P78527	PRKDC
T81735	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P78527	PRKDC
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T66252	DI0300	Neutropenia	[ICD-11: 4B00]	Q86TI2	DPP9
T92076	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P41180	CASR
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T49072	DI0037	Asthma	[ICD-11: CA23]	Q9UKP6	UTS2R
T16808	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q99873	PRMT1
T78656	DI0264	Migraine	[ICD-11: 8A80]	P30939	HTR1F
T78656	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30939	HTR1F
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
T55729	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q15759	MAPK11
T55729	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q15759	MAPK11
T76414	DI0024	Alpha-1-antitrypsin deficiency	[ICD-11: 5C5A]	Q13224	GRIN2B
T31989	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9NRA0	SPHK2
T40787	DI0275	Multiple sclerosis	[ICD-11: 8A40]	Q13126	MTAP
T70490	DI0064	Bronchiectasis	[ICD-11: CA24]	P53634	CTSC
T58496	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q8NET8	TRPV3