Compound details

Garcinielliptone HB

Compound ID	CDAMM03019
Common name	Garcinielliptone HB
IUPAC name	6-hydroxy-2-(2-methoxypropan-2-yl)-5,5-bis(3-methylbut-2-enyl)-7-(2-methylpropanoyl)-1-benzofuran-4-one
Molecular formula	C₂₆H₃₆O₅

Experimental data

Retention time	17.92
Adduct	[M+H]+
Actual mz	429.265
Theoretical mz	429.263
Error	3.08
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.368

Identifiers and class information

Inchi key	FQVYQVSXSMBPMT-MRCUWXFGSA-N
Smiles	O=C1C=2C=C(OC2C(C(=O)C1(CC=C(C)C)CC=C(C)C)=C(O)C(C)C)C(OC)(C)C
Superclass	Organoheterocyclic compounds
Class	Benzofurans

Plant source

Clitoria ternatea L.

External sources

HMDB ID
KNApSAcK ID	C00033854
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	135823133
PlantCyc ID
UNPD ID	UNPD104428
Coconut ID	CNP0282634
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	1
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)	8
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	428.567
Computed dipole moment(dipole)	5.244
Total solvent accessible surface area (SASA)	766.777
Hydrophobic component of SASA (FOSA)	667.824
Hydrophilic component of SASA (FISA)	57.15
Pie component of the SASA (PISA)	41.803
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1460.92
Number of hydrogen bond donors (donorHB)	0
Number of hydrogen bond acceptors (accptHB)	7.25
Free energy of solvation of dipole (dip^2/V)	0.0188212
Index of cohesive interaction in solids (ACxDN^.5/SA)	0
Globularity descriptor (glob)	0.812046
Predicted polarizability in cubic angstroms (QPpolrz)	47.575
Predicted hexadecane/gas partition coefficient (QPlogPC16)	12.465
Predicted octanol/gas partition coefficient (QPlogPoct)	19.246
Predicted water/gas partition coefficient (QPlogPw)	7.614
Predicted octanol/water partition coefficient (QPlogPo/w)	4.949
Predicted aqueous solubility (QPlogS)	-5.649
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.221
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.773
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	2844.09
Predicted brain/blood partition coefficient (QPlogBB)	-0.496
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	1531.12
Predicted skin permeability, log Kp (QPlogKp)	-1.657
PM3 calculated ionization potential (IP(ev))	9.459
PM3 calculated electron affinity (EA(eV))	0.392
Number of likely metabolic reactions (#metab)	10
Prediction of binding to human serum albumin (QPlogKhsa)	0.58
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	100
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)	76.955
Number of nitrogen and oxygen atoms (#NandO)	5
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
Number of violations of Jorgensen’s rule of three (RuleOfThree)	1

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P22303	ACHE	Acetylcholinesterase	T30082	SwissTargetPrediction
Q12809	KCNH2	HERG	T20251	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P00797	REN	Renin	T61622	SwissTargetPrediction
P00734	F2	Thrombin	T94033	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
P42785	PRCP	Lysosomal Pro-X carboxypeptidase	T20371	SwissTargetPrediction
P43235	CTSK	Cathepsin K	T11388	SwissTargetPrediction
Q9UBN7	HDAC6	Histone deacetylase 6	T22274	SwissTargetPrediction
P07384	CAPN1	Calpain 1	T92517	SwissTargetPrediction
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
P07339	CTSD	Cathepsin D	T67102	SwissTargetPrediction
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
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P17655	CAPN2	Calpain 2	T86837	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
Q13535	ATR	Serine-protein kinase ATR	T97155	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	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
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
O43603	GALR2	Galanin receptor 2 (by homology)	T13453	SwissTargetPrediction
P47211	GALR1	Galanin receptor 1 (by homology)	T78581	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
Q02156	PRKCE	Protein kinase C epsilon	T00895	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
P29466	CASP1	Caspase-1	T98269	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P34972	CNR2	Cannabinoid receptor 2	T37693	SwissTargetPrediction
Q05655	PRKCD	Protein kinase C delta	T44861	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P34995	PTGER1	Prostanoid EP1 receptor	T15497	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P25024	CXCR1	Interleukin-8 receptor A	T00884	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P08922	ROS1	Proto-oncogene tyrosine-protein kinase ROS	T69128	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P11597	CETP	Cholesteryl ester transfer protein	T15334	SwissTargetPrediction
P42574	CASP3	Caspase-3	T57943	SwissTargetPrediction
P41146	OPRL1	Nociceptin receptor	T52921	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
O00763	ACACB	Acetyl-CoA carboxylase 2	T08922	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
Q9UQ81	MCH5	Caspase-8	T15700	SwissTargetPrediction
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
Q16875	PFKFB3	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	T23787	SwissTargetPrediction
Q06187	BTK	Tyrosine-protein kinase BTK	T97719	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
P51685	CCR8	C-C chemokine receptor type 8	T20575	SwissTargetPrediction
P21452	TACR2	Neurokinin 2 receptor	T52790	SwissTargetPrediction
P53609	PGGT1B	Geranylgeranyl transferase type I	T76396	SwissTargetPrediction
O60706	ABCC9	Sulfonylurea receptor 2	T02777	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
P08631	HCK	Tyrosine-protein kinase HCK	T31406	SwissTargetPrediction
P29371	TACR3	Neurokinin 3 receptor	T29683	SwissTargetPrediction
P07948	LYN	Tyrosine-protein kinase Lyn	T68163	SwissTargetPrediction
Q13936	CACNA1C	Voltage-gated L-type calcium channel alpha-1C subunit	T51115	SwissTargetPrediction
P10415	BCL2	Apoptosis regulator Bcl-2	T31309	SwissTargetPrediction
Q15910	EZH2	EZH2/SUZ12/EED/RBBP7/RBBP4	T25265	SwissTargetPrediction
P09769	FGR	Tyrosine-protein kinase FGR	T49925	SwissTargetPrediction
P29320	EPHA3	Ephrin type-A receptor 3	T28413	SwissTargetPrediction
Q16832	DDR2	Discoidin domain-containing receptor 2	T11764	SwissTargetPrediction
Q08345	DDR1	Epithelial discoidin domain-containing receptor 1	T09185	SwissTargetPrediction
Q8WTV0	SCARB1	Scavenger receptor class B member 1 (by homology)	T62998	SwissTargetPrediction
P49238	CX3CR1	C-X3-C chemokine receptor 1	T15033	SwissTargetPrediction
P28065	PSMB9	Proteasome subunit beta type-9	T06792	SwissTargetPrediction
P28062	PSMB8	Proteasome subunit beta type-8	T77350	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
T20251	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q12809	KCNH2
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
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
T61622	DI0190	Hypertension	[ICD-11: BA00-BA04]	P00797	REN
T94033	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00734	F2
T94033	DI0091	Coagulation defect	[ICD-11: 3B10]	P00734	F2
T94033	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P00734	F2
T94033	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P00734	F2
T94033	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00734	F2
T94033	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00734	F2
T94033	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P00734	F2
T94033	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00734	F2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
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
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
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
T11388	DI0237	Low bone mass disorder	[ICD-11: FB83]	P43235	CTSK
T22274	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9UBN7	HDAC6
T22274	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UBN7	HDAC6
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
T67102	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07339	CTSD
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
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T86837	DI0106	COVID-19	[ICD-11: 1D6Y]	P17655	CAPN2
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
T60693	DI0304	Non-specific cutaneous vascular symptom	[ICD-11: ME64]	P41145	OPRK1
T60693	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41145	OPRK1
T60693	DI0349	Pruritus	[ICD-11: EC90]	P41145	OPRK1
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
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
T97155	DI0238	Lung cancer	[ICD-11: 2C25]	Q13535	ATR
T97155	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q13535	ATR
T97155	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q13535	ATR
T97155	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q13535	ATR
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
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
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T78581	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P47211	GALR1
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
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
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T00895	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	Q02156	PRKCE
T00895	DI0243	Malaria	[ICD-11: 1F40-1F45]	Q02156	PRKCE
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
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
T37693	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P34972	CNR2
T37693	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P34972	CNR2
T44861	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q05655	PRKCD
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
T15497	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P34995	PTGER1
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
T69128	DI0238	Lung cancer	[ICD-11: 2C25]	P08922	ROS1
T69128	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P08922	ROS1
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T15334	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P11597	CETP
T15334	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P11597	CETP
T15334	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P11597	CETP
T15334	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P11597	CETP
T57943	DI0060	Brain cancer	[ICD-11: 2A00]	P42574	CASP3
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
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
T08922	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	O00763	ACACB
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
T15700	DI0120	Diabetes mellitus	[ICD-11: 5A10]	Q9UQ81	MCH5
T15700	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UQ81	MCH5
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
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
T23787	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16875	PFKFB3
T97719	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	Q06187	BTK
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T69485	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43614	HCRTR2
T73482	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O43613	HCRTR1
T73482	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43613	HCRTR1
T73482	DI0317	Opioid use disorder	[ICD-11: 6C43]	O43613	HCRTR1
T20575	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P51685	CCR8
T52790	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P21452	TACR2
T76396	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P53609	PGGT1B
T02777	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O60706	ABCC9
T02777	DI0030	Angina pectoris	[ICD-11: BA40]	O60706	ABCC9
T02777	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	O60706	ABCC9
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
T31406	DI0207	Indeterminate colitis	[ICD-11: DD72]	P08631	HCK
T29683	DI0254	Menopausal disorder	[ICD-11: GA30]	P29371	TACR3
T68163	DI0281	Musculoskeletal disorder	[ICD-11: FA00-FC0Z]	P07948	LYN
T68163	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07948	LYN
T51115	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q13936	CACNA1C
T31309	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P10415	BCL2
T31309	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P10415	BCL2
T31309	DI0273	Motor neuron disease	[ICD-11: 8B60]	P10415	BCL2
T31309	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P10415	BCL2
T25265	DI0151	Follicular lymphoma	[ICD-11: 2A80]	Q15910	EZH2
T28413	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P29320	EPHA3
T28413	DI0060	Brain cancer	[ICD-11: 2A00]	P29320	EPHA3
T28413	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P29320	EPHA3
T28413	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P29320	EPHA3
T77350	DI0274	Multiple myeloma	[ICD-11: 2A83]	P28062	PSMB8