Compound details

Bisnubenolide

Compound ID	CDAMM02721
Common name	Bisnubenolide
IUPAC name	9-hydroxy-4-(9-hydroxy-1,5,8-trimethyl-2,6-dioxo-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-4-yl)-1,5,8-trimethyl-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-2,6-dione
Molecular formula	C₃₀H₃₀O₈

Experimental data

Retention time	4.14
Adduct	[M+H]+
Actual mz	519.197
Theoretical mz	519.201
Error	8.62
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.8591

Identifiers and class information

Inchi key	FAXNIHZOESRKGW-MYUYOZARNA-N
Smiles	O=C1OC2C(=C1C)C(O)C3C(C(=O)C=C3C)=C(C)C2C4C(=C5C(=O)C=C(C)C5C(O)C6=C(C(=O)OC64)C)C
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID
KNApSAcK ID	C00029833
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	73239299
PlantCyc ID
UNPD ID	UNPD142845
Coconut ID	CNP0269813
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)	2
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	518.562
Computed dipole moment(dipole)	1.408
Total solvent accessible surface area (SASA)	716.03
Hydrophobic component of SASA (FOSA)	423.035
Hydrophilic component of SASA (FISA)	219.912
Pie component of the SASA (PISA)	73.082
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1424.66
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	13.4
Free energy of solvation of dipole (dip^2/V)	0.0013924
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.026466
Globularity descriptor (glob)	0.85515
Predicted polarizability in cubic angstroms (QPpolrz)	50.275
Predicted hexadecane/gas partition coefficient (QPlogPC16)	13.864
Predicted octanol/gas partition coefficient (QPlogPoct)	27.413
Predicted water/gas partition coefficient (QPlogPw)	19.122
Predicted octanol/water partition coefficient (QPlogPo/w)	1.202
Predicted aqueous solubility (QPlogS)	-4.286
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.035
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.224
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	81.371
Predicted brain/blood partition coefficient (QPlogBB)	-1.562
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	32.862
Predicted skin permeability, log Kp (QPlogKp)	-5.123
PM3 calculated ionization potential (IP(ev))	10.109
PM3 calculated electron affinity (EA(eV))	0.853
Number of likely metabolic reactions (#metab)	14
Prediction of binding to human serum albumin (QPlogKhsa)	-0.137
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	55.216
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)	165.788
Number of nitrogen and oxygen atoms (#NandO)	8
Number of violations of Lipinski’s rule of five (RuleOfFive)	1
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
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P00797	REN	Renin	T61622	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14555	PLA2G2A	Phospholipase A2 group IIA	T19160	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P07949	RET	Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET	T60631	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
O75469	NR1I2	Pregnane X receptor	T82702	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	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
Q9H2K2	TNKS2	Tankyrase-2	T38087	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
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
Q86V86	PIM3	Serine/threonine-protein kinase PIM3	T16596	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
P07711	CTSL	Cathepsin L	T98691	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
O14746	TERT	Telomerase reverse transcriptase	T86052	SwissTargetPrediction
Q08499	PDE4D	Phosphodiesterase 4D	T02001	SwissTargetPrediction
P24723	PRKCH	Protein kinase C eta	T40149	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P08238	HSP90AB1	Heat shock protein HSP 90-beta	T96623	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
Q02156	PRKCE	Protein kinase C epsilon	T00895	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
P29466	CASP1	Caspase-1	T98269	SwissTargetPrediction
P24385	CCND1	Cyclin-dependent kinase 4/cyclin D1	T12355	SwissTargetPrediction
P25774	CTSS	Cathepsin S	T68290	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
Q05655	PRKCD	Protein kinase C delta	T44861	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P25024	CXCR1	Interleukin-8 receptor A	T00884	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P42574	CASP3	Caspase-3	T57943	SwissTargetPrediction
P55210	CASP7	Caspase-7	T72252	SwissTargetPrediction
Q92793	CREBBP	CREB-binding protein/p53	T03634	SwissTargetPrediction
P49336	CDK8	Cell division protein kinase 8	T10822	SwissTargetPrediction
Q9UQ81	MCH5	Caspase-8	T15700	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
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P46663	BDKRB1	Bradykinin B1 receptor	T58589	SwissTargetPrediction
P24530	EDNRB	Endothelin receptor ET-B	T92828	SwissTargetPrediction
O14649	KCNK3	Potassium channel subfamily K member 3	T15795	SwissTargetPrediction
P13569	CFTR	Cystic fibrosis transmembrane conductance regulator	T55654	SwissTargetPrediction
Q13153	PAK1	Serine/threonine-protein kinase PAK 1	T37961	SwissTargetPrediction
P51812	RPS6KA3	Ribosomal protein S6 kinase alpha 3	T03279	SwissTargetPrediction
Q16549	PCSK7	Subtilisin/kexin type 7	T33211	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
P15559	NQO1	Quinone reductase 1	T52389	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
P05129	PRKCG	Protein kinase C gamma	T47107	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
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
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T19160	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P14555	PLA2G2A
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
T60631	DI0095	Colorectal cancer	[ICD-11: 2B91]	P07949	RET
T60631	DI0238	Lung cancer	[ICD-11: 2C25]	P07949	RET
T60631	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P07949	RET
T60631	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07949	RET
T60631	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P07949	RET
T60631	DI0407	Thyroid cancer	[ICD-11: 2D10]	P07949	RET
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T66665	DI0087	Chronic pain	[ICD-11: MG30]	P35354	PTGS2
T66665	DI0145	Female pelvic pain	[ICD-11: GA34]	P35354	PTGS2
T66665	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P35354	PTGS2
T66665	DI0207	Indeterminate colitis	[ICD-11: DD72]	P35354	PTGS2
T66665	DI0227	Knee osteoarthritis	[ICD-11: FA01]	P35354	PTGS2
T66665	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P35354	PTGS2
T66665	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35354	PTGS2
T66665	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35354	PTGS2
T66665	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	P35354	PTGS2
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
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
T40016	DI0016	Adaptive immunity immunodeficiency	[ICD-11: 4A01]	P04150	NR3C1
T40016	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P04150	NR3C1
T40016	DI0037	Asthma	[ICD-11: CA23]	P04150	NR3C1
T40016	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P04150	NR3C1
T40016	DI0108	Cushing syndrome	[ICD-11: 5A70]	P04150	NR3C1
T40016	DI0280	Muscular dystrophy	[ICD-11: 8C70]	P04150	NR3C1
T40016	DI0314	Oesophagitis	[ICD-11: DA24]	P04150	NR3C1
T40016	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P04150	NR3C1
T40016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P04150	NR3C1
T40016	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04150	NR3C1
T40016	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P04150	NR3C1
T22939	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06401	PGR
T22939	DI0100	Contraceptive management	[ICD-11: QA21]	P06401	PGR
T22939	DI0255	Menstrual cycle bleeding disorder	[ICD-11: GA20]	P06401	PGR
T22939	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P06401	PGR
T22939	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06401	PGR
T13260	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11511	CYP19A1
T13260	DI0108	Cushing syndrome	[ICD-11: 5A70]	P11511	CYP19A1
T16347	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P18031	PTPN1
T16347	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P18031	PTPN1
T16347	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18031	PTPN1
T16347	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P18031	PTPN1
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
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
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
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
T38087	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9H2K2	TNKS2
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
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
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
T58992	DI0059	Bowel habit change	[ICD-11: ME05]	P41143	OPRD1
T58992	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P41143	OPRD1
T58992	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41143	OPRD1
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
T86052	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	O14746	TERT
T86052	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O14746	TERT
T86052	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O14746	TERT
T02001	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q08499	PDE4D
T40149	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P24723	PRKCH
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
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
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T40276	DI0123	Diffuse large B-cell lymphoma	[ICD-11: 2A81]	P05771	PRKCB
T40276	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P05771	PRKCB
T40276	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P05771	PRKCB
T00895	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	Q02156	PRKCE
T00895	DI0243	Malaria	[ICD-11: 1F40-1F45]	Q02156	PRKCE
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
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
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
T12355	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P24385	CCND1
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
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
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
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
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T57943	DI0060	Brain cancer	[ICD-11: 2A00]	P42574	CASP3
T72252	DI0110	Cystic fibrosis	[ICD-11: CA25]	P55210	CASP7
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
T15700	DI0120	Diabetes mellitus	[ICD-11: 5A10]	Q9UQ81	MCH5
T15700	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UQ81	MCH5
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
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T58589	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P46663	BDKRB1
T58589	DI0365	Retinopathy	[ICD-11: 9B71]	P46663	BDKRB1
T58589	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P46663	BDKRB1
T92828	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P24530	EDNRB
T92828	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P24530	EDNRB
T15795	DI0309	Obstructive sleep apnoea	[ICD-11: 7A41]	O14649	KCNK3
T55654	DI0110	Cystic fibrosis	[ICD-11: CA25]	P13569	CFTR
T55654	DI0217	Intrathoracic organs injury	[ICD-11: NB32]	P13569	CFTR
T55654	DI0435	Viral intestinal infection	[ICD-11: 1A2Z]	P13569	CFTR
T03279	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P51812	RPS6KA3
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
T52389	DI0079	Choreiform disorder	[ICD-11: 8A01]	P15559	NQO1
T52389	DI0090	CNS anomalies syndrome	[ICD-11: LD20]	P15559	NQO1
T52389	DI0202	Inborn energy metabolism error	[ICD-11: 5C53]	P15559	NQO1
T52389	DI0215	Intellectual development disorder	[ICD-11: LD90]	P15559	NQO1
T52389	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P15559	NQO1
T52389	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P15559	NQO1
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T47107	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P05129	PRKCG
T47107	DI0248	Mastocytosis	[ICD-11: 2A21]	P05129	PRKCG