Compound details

Obliquine

Compound ID	CDAMM02700
Common name	Obliquine
IUPAC name	12-[2-(4-hydroxyphenyl)ethyl]-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
Molecular formula	C₂₆H₂₈N₂O₅

Experimental data

Retention time	10.46
Adduct	[M+H]+
Actual mz	449.205
Theoretical mz	449.207
Error	5.51
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.1235

Identifiers and class information

Inchi key	MNZZTIOCKJEHEP-OHIPBMBJNA-N
Smiles	O=C1N(C)C2CC(OC)C=CC32C4=CC=5OCOC5C=C4CN(CCC6=CC=C(O)C=C6)C13
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID
KNApSAcK ID	C00037569
FooDB ID
DrugBank ID
ChEBI ID	CHEBI:31929
Pubchem Compound ID	72768089
PlantCyc ID
UNPD ID	UNPD17814
Coconut ID	CNP0153682
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)	1
Number of rotatable bonds (#rotor)	5
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	1
Molecular weight (mol_MW)	448.518
Computed dipole moment(dipole)	3.583
Total solvent accessible surface area (SASA)	645.033
Hydrophobic component of SASA (FOSA)	356.338
Hydrophilic component of SASA (FISA)	74.905
Pie component of the SASA (PISA)	213.791
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1266.04
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	8.95
Free energy of solvation of dipole (dip^2/V)	0.0101421
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0138753
Globularity descriptor (glob)	0.877433
Predicted polarizability in cubic angstroms (QPpolrz)	43.344
Predicted hexadecane/gas partition coefficient (QPlogPC16)	12.25
Predicted octanol/gas partition coefficient (QPlogPoct)	20.668
Predicted water/gas partition coefficient (QPlogPw)	14.156
Predicted octanol/water partition coefficient (QPlogPo/w)	2.091
Predicted aqueous solubility (QPlogS)	-1.926
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.146
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-3.887
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	312.534
Predicted brain/blood partition coefficient (QPlogBB)	0.012
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	248.329
Predicted skin permeability, log Kp (QPlogKp)	-3.729
PM3 calculated ionization potential (IP(ev))	8.802
PM3 calculated electron affinity (EA(eV))	-0.073
Number of likely metabolic reactions (#metab)	6
Prediction of binding to human serum albumin (QPlogKhsa)	-0.218
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	83.843
Solvent-accessible surface area of fluorine atoms (SAFluorine)	0
Solvent-accessible surface area of amide oxygen atoms (SAamideO)	23.566
Van der Waals surface area (PSA)	79.985
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
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P05067	APP	Beta amyloid A4 protein	T87024	SwissTargetPrediction
P42338	PIK3CB	PI3-kinase p110-beta subunit	T05031	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P13866	SLC5A1	Sodium/glucose cotransporter 1	T54771	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
Q9Y2I1	NISCH	Nischarin	T65689	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P43235	CTSK	Cathepsin K	T11388	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O14684	PTGES	Prostaglandin E synthase	T02562	SwissTargetPrediction
Q9H3N8	HRH4	Histamine H4 receptor	T26500	SwissTargetPrediction
Q7Z2W7	TRPM8	Transient receptor potential cation channel subfamily M member 8	T41955	SwissTargetPrediction
P03372	ESR1	Estrogen receptor alpha	T02506	SwissTargetPrediction
P09917	ALOX5	Arachidonate 5-lipoxygenase	T00140	SwissTargetPrediction
P08069	IGF1R	Insulin-like growth factor I receptor	T48069	SwissTargetPrediction
P15086	CPB1	Carboxypeptidase B	T36725	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	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
Q9H2K2	TNKS2	Tankyrase-2	T38087	SwissTargetPrediction
P14061	HSD17B1	Estradiol 17-beta-dehydrogenase 1	T44011	SwissTargetPrediction
P30291	WEE1	Serine/threonine-protein kinase WEE1	T69991	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
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
P11802	CDK4	Cyclin-dependent kinase 4	T85799	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9NZJ5	EIF2AK3	Eukaryotic translation initiation factor 2-alpha kinase 3	T13176	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P11387	TOP1	DNA topoisomerase I	T09826	SwissTargetPrediction
O75460	ERN1	Serine/threonine-protein kinase/endoribonuclease IRE1	T01003	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P08238	HSP90AB1	Heat shock protein HSP 90-beta	T96623	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P01375	TNF	TNF-alpha	T20178	SwissTargetPrediction
Q15858	SCN9A	Sodium channel protein type IX alpha subunit	T12119	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
P25774	CTSS	Cathepsin S	T68290	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P29597	TYK2	Tyrosine-protein kinase TYK2	T78932	SwissTargetPrediction
Q9Y251	HPSE	Heparanase	T47623	SwissTargetPrediction
Q9HBH1	PDF	Peptide deformylase mitochondrial	T89515	SwissTargetPrediction
P42892	ECE1	Endothelin-converting enzyme 1	T50970	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P25101	EDNRA	Endothelin receptor ET-A	T23499	SwissTargetPrediction
P39900	MMP12	Matrix metalloproteinase 12	T03500	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
Q9Y5Z0	BACE2	Beta secretase 2	T01280	SwissTargetPrediction
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
Q9Y243	AKT3	Serine/threonine-protein kinase AKT	T71266	SwissTargetPrediction
Q13976	PRKG1	cGMP-dependent protein kinase 1 beta	T78543	SwissTargetPrediction
Q04759	PRKCQ	Protein kinase C theta	T23995	SwissTargetPrediction
P78527	PRKDC	DNA-dependent protein kinase	T81735	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
Q08881	ITK	Tyrosine-protein kinase ITK/TSK	T77537	SwissTargetPrediction
Q16875	PFKFB3	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	T23787	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
P24530	EDNRB	Endothelin receptor ET-B	T92828	SwissTargetPrediction
P37023	ACVRL1	Serine/threonine-protein kinase receptor R3	T36959	SwissTargetPrediction
P51812	RPS6KA3	Ribosomal protein S6 kinase alpha 3	T03279	SwissTargetPrediction
O00408	PDE2A	Phosphodiesterase 2A	T77400	SwissTargetPrediction
Q00796	SORD	Sorbitol dehydrogenase	T59445	SwissTargetPrediction
Q06418	TYRO3	Tyrosine-protein kinase receptor TYRO3	T94880	SwissTargetPrediction
P16885	PLCG2	Phospholipase C-gamma-2	T93922	SwissTargetPrediction
P42681	TXK	Tyrosine-protein kinase TXK	T32590	SwissTargetPrediction
O75173	ADAMTS4	ADAMTS4	T79570	SwissTargetPrediction
P33316	DUT	dUTP pyrophosphatase	T39054	SwissTargetPrediction
P06734	FCER2	Immunoglobulin epsilon Fc receptor	T67207	SwissTargetPrediction
O43353	RIPK2	Serine/threonine-protein kinase RIPK2	T92463	SwissTargetPrediction
P12004	PCNA	Proliferating cell nuclear antigen	T21782	SwissTargetPrediction
P48048	KCNJ1	ATP-sensitive inward rectifier potassium channel 1	T78710	SwissTargetPrediction
Q9UJ67	APAF1	Caterpiller protein 1.1	T08499	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
T87024	DI0025	Alzheimer disease	[ICD-11: 8A20]	P05067	APP
T87024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P05067	APP
T05031	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42338	PIK3CB
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
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
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
T76685	DI0031	Anorexia nervosa	[ICD-11: 6B80]	P21554	CNR1
T76685	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P21554	CNR1
T76685	DI0308	Obesity	[ICD-11: 5B80-5B81]	P21554	CNR1
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T11388	DI0237	Low bone mass disorder	[ICD-11: FB83]	P43235	CTSK
T11211	DI0005	Acne vulgaris	[ICD-11: ED80]	P10275	AR
T11211	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P10275	AR
T11211	DI0021	Alcoholic liver disease	[ICD-11: DB94]	P10275	AR
T11211	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P10275	AR
T11211	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P10275	AR
T11211	DI0145	Female pelvic pain	[ICD-11: GA34]	P10275	AR
T11211	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P10275	AR
T11211	DI0237	Low bone mass disorder	[ICD-11: FB83]	P10275	AR
T11211	DI0247	Mammary tumour	[ICD-11: 2C60-2C6Z]	P10275	AR
T11211	DI0346	Prostate cancer	[ICD-11: 2C82]	P10275	AR
T11211	DI0401	Testicular dysfunction	[ICD-11: 5A81]	P10275	AR
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
T02562	DI0025	Alzheimer disease	[ICD-11: 8A20]	O14684	PTGES
T26500	DI0037	Asthma	[ICD-11: CA23]	Q9H3N8	HRH4
T26500	DI0039	Atopic eczema	[ICD-11: EA80]	Q9H3N8	HRH4
T26500	DI0351	Psoriasis	[ICD-11: EA90]	Q9H3N8	HRH4
T26500	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9H3N8	HRH4
T26500	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q9H3N8	HRH4
T41955	DI0422	Upper respiratory tract disorder	[ICD-11: CA0Z]	Q7Z2W7	TRPM8
T02506	DI0106	COVID-19	[ICD-11: 1D6Y]	P03372	ESR1
T00140	DI0037	Asthma	[ICD-11: CA23]	P09917	ALOX5
T00140	DI0147	Filariasis	[ICD-11: 1F66]	P09917	ALOX5
T00140	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09917	ALOX5
T48069	DI0276	Multiple structural anomalies syndrome	[ICD-11: LD2F]	P08069	IGF1R
T48069	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P08069	IGF1R
T48069	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P08069	IGF1R
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
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
T38087	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9H2K2	TNKS2
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
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
T74312	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P36888	FLT3
T74312	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P36888	FLT3
T74312	DI0095	Colorectal cancer	[ICD-11: 2B91]	P36888	FLT3
T74312	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P36888	FLT3
T74312	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P36888	FLT3
T74312	DI0248	Mastocytosis	[ICD-11: 2A21]	P36888	FLT3
T74312	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P36888	FLT3
T74312	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P36888	FLT3
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
T13176	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9NZJ5	EIF2AK3
T84133	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q9Y233	PDE10A
T84133	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	Q9Y233	PDE10A
T84133	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9Y233	PDE10A
T84133	DI0370	Schizophrenia	[ICD-11: 6A20]	Q9Y233	PDE10A
T84133	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9Y233	PDE10A
T76059	DI0331	Parkinsonism	[ICD-11: 8A00]	P62942	FKBP1A
T76059	DI0349	Pruritus	[ICD-11: EC90]	P62942	FKBP1A
T76059	DI0413	Transplant rejection	[ICD-11: NE84]	P62942	FKBP1A
T53585	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P04035	HMGCR
T53585	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P04035	HMGCR
T53585	DI0128	Dyslipidemia	[ICD-11: 5C80-5C81]	P04035	HMGCR
T53585	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P04035	HMGCR
T53585	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P04035	HMGCR
T53585	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P04035	HMGCR
T53585	DI0324	Pain	[ICD-11: MG30-MG3Z]	P04035	HMGCR
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
T09826	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P11387	TOP1
T09826	DI0095	Colorectal cancer	[ICD-11: 2B91]	P11387	TOP1
T09826	DI0238	Lung cancer	[ICD-11: 2C25]	P11387	TOP1
T09826	DI0321	Ovarian cancer	[ICD-11: 2C73]	P11387	TOP1
T09826	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11387	TOP1
T01003	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	O75460	ERN1
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
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T96623	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P08238	HSP90AB1
T96623	DI0238	Lung cancer	[ICD-11: 2C25]	P08238	HSP90AB1
T96623	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P08238	HSP90AB1
T96623	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P08238	HSP90AB1
T96623	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P08238	HSP90AB1
T96623	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P08238	HSP90AB1
T96623	DI0395	Stomach cancer	[ICD-11: 2B72]	P08238	HSP90AB1
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
T20178	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P01375	TNF
T20178	DI0274	Multiple myeloma	[ICD-11: 2A83]	P01375	TNF
T20178	DI0351	Psoriasis	[ICD-11: EA90]	P01375	TNF
T20178	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P01375	TNF
T12119	DI0051	Bipolar disorder	[ICD-11: 6A60]	Q15858	SCN9A
T12119	DI0087	Chronic pain	[ICD-11: MG30]	Q15858	SCN9A
T12119	DI0140	Extremities vasodilatation	[ICD-11: EG00]	Q15858	SCN9A
T12119	DI0163	General pain disorder	[ICD-11: 8E43]	Q15858	SCN9A
T12119	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q15858	SCN9A
T12119	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q15858	SCN9A
T12119	DI0358	Radiculopathy	[ICD-11: 8B93]	Q15858	SCN9A
T12119	DI0415	Trigeminal nerve disorder	[ICD-11: 8B82]	Q15858	SCN9A
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T99204	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P49810	PSEN2
T99204	DI0380	Shoulder lesion	[ICD-11: FB53]	P49810	PSEN2
T99204	DI0390	Soft tissue disorder	[ICD-11: FB56]	P49810	PSEN2
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
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
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
T68290	DI0042	Autoimmune disease	[ICD-11: 4A40-4A45]	P25774	CTSS
T68290	DI0092	Coeliac disease	[ICD-11: DA95]	P25774	CTSS
T68290	DI0107	Crohn disease	[ICD-11: DD70]	P25774	CTSS
T68290	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P25774	CTSS
T68290	DI0163	General pain disorder	[ICD-11: 8E43]	P25774	CTSS
T68290	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25774	CTSS
T68290	DI0382	Sjogren syndrome	[ICD-11: 4A43]	P25774	CTSS
T23172	DI0023	Alopecia	[ICD-11: ED70]	P52333	JAK3
T23172	DI0039	Atopic eczema	[ICD-11: EA80]	P52333	JAK3
T23172	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P52333	JAK3
T23172	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P52333	JAK3
T78932	DI0351	Psoriasis	[ICD-11: EA90]	P29597	TYK2
T47623	DI0020	African trypanosomiasis	[ICD-11: 1F51]	Q9Y251	HPSE
T47623	DI0310	Ocular disease	[ICD-11: N.A.]	Q9Y251	HPSE
T89515	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	Q9HBH1	PDF
T89515	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9HBH1	PDF
T89515	DI0243	Malaria	[ICD-11: 1F40-1F45]	Q9HBH1	PDF
T89515	DI0251	Mature T-cell lymphoma	[ICD-11: 2A90]	Q9HBH1	PDF
T89515	DI0351	Psoriasis	[ICD-11: EA90]	Q9HBH1	PDF
T89515	DI0412	Toxoplasmosis	[ICD-11: 1F57]	Q9HBH1	PDF
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
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
T23499	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P25101	EDNRA
T23499	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P25101	EDNRA
T23499	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	P25101	EDNRA
T03500	DI0037	Asthma	[ICD-11: CA23]	P39900	MMP12
T03500	DI0238	Lung cancer	[ICD-11: 2C25]	P39900	MMP12
T03500	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P39900	MMP12
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
T01280	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	Q9Y5Z0	BACE2
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
T71266	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9Y243	AKT3
T23995	DI0413	Transplant rejection	[ICD-11: NE84]	Q04759	PRKCQ
T81735	DI0360	Rectum cancer	[ICD-11: 2B92]	P78527	PRKDC
T81735	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P78527	PRKDC
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
T23787	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16875	PFKFB3
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T92828	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P24530	EDNRB
T92828	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P24530	EDNRB
T36959	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P37023	ACVRL1
T03279	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P51812	RPS6KA3
T77400	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	O00408	PDE2A
T77400	DI0207	Indeterminate colitis	[ICD-11: DD72]	O00408	PDE2A
T77400	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	O00408	PDE2A
T77400	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	O00408	PDE2A
T94880	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06418	TYRO3
T39054	DI0238	Lung cancer	[ICD-11: 2C25]	P33316	DUT
T39054	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P33316	DUT
T67207	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	P06734	FCER2
T92463	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	O43353	RIPK2
T92463	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	O43353	RIPK2
T21782	DI0308	Obesity	[ICD-11: 5B80-5B81]	P12004	PCNA
T08499	DI0087	Chronic pain	[ICD-11: MG30]	Q9UJ67	APAF1
T08499	DI0167	Gout	[ICD-11: FA25]	Q9UJ67	APAF1
T08499	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q9UJ67	APAF1
T08499	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UJ67	APAF1