Compound details

Homodolicholide

Compound ID	CDAMM00906
Common name	Homodolicholide
IUPAC name	15-(3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Molecular formula	C₂₉H₄₈O₆

Experimental data

Retention time	15.58
Adduct	[M+H]+
Actual mz	493.357
Theoretical mz	493.352
Error	10.18
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.5746

Identifiers and class information

Inchi key	LRRBQWHWKJDDAW-REZTVBANNA-N
Smiles	O=C1OCC2C3CCC(C(C)C(O)C(O)C(=CC)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Cinnamomum verum J. Presl

External sources

HMDB ID	HMDB0033907
KNApSAcK ID	C00000178
FooDB ID	FDB012103
DrugBank ID
ChEBI ID
Pubchem Compound ID	74433163
PlantCyc ID
UNPD ID	UNPD10603
Coconut ID	CNP0274729
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	0
Number of amidine and guanidine groups (#amidine)	0
Number of carboxylic acid groups (#acid)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	9
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	492.695
Computed dipole moment(dipole)	1.652
Total solvent accessible surface area (SASA)	771.118
Hydrophobic component of SASA (FOSA)	582.076
Hydrophilic component of SASA (FISA)	181.62
Pie component of the SASA (PISA)	7.422
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1527.03
Number of hydrogen bond donors (donorHB)	4
Number of hydrogen bond acceptors (accptHB)	9.8
Free energy of solvation of dipole (dip^2/V)	0.0017883
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0254177
Globularity descriptor (glob)	0.831656
Predicted polarizability in cubic angstroms (QPpolrz)	49.25
Predicted hexadecane/gas partition coefficient (QPlogPC16)	14.513
Predicted octanol/gas partition coefficient (QPlogPoct)	27.441
Predicted water/gas partition coefficient (QPlogPw)	16.387
Predicted octanol/water partition coefficient (QPlogPo/w)	3.164
Predicted aqueous solubility (QPlogS)	-5.168
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.005
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.291
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	187.759
Predicted brain/blood partition coefficient (QPlogBB)	-1.73
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	81.133
Predicted skin permeability, log Kp (QPlogKp)	-3.977
PM3 calculated ionization potential (IP(ev))	9.57
PM3 calculated electron affinity (EA(eV))	-0.357
Number of likely metabolic reactions (#metab)	7
Prediction of binding to human serum albumin (QPlogKhsa)	0.411
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	86.167
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)	113.518
Number of nitrogen and oxygen atoms (#NandO)	6
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
Number of violations of Jorgensen’s rule of three (RuleOfThree)	1

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P34903	GABRA3	GABA A receptor alpha-3/beta-2/gamma-2	T62292	SwissTargetPrediction
P47869	GABRA2	GABA A receptor alpha-2/beta-2/gamma-2	T51452	SwissTargetPrediction
P00797	REN	Renin	T61622	SwissTargetPrediction
P00734	F2	Thrombin	T94033	SwissTargetPrediction
P42338	PIK3CB	PI3-kinase p110-beta subunit	T05031	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P14555	PLA2G2A	Phospholipase A2 group IIA	T19160	SwissTargetPrediction
P08473	MME	Neprilysin	T05409	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P29275	ADORA2B	Adenosine A2b receptor	T86679	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
P08235	NR3C2	Mineralocorticoid receptor	T72168	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
Q9UHC9	NPC1L1	Niemann-Pick C1-like protein 1	T33901	SEA
O14684	PTGES	Prostaglandin E synthase	T02562	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P17706	PTPN2	T-cell protein-tyrosine phosphatase	T49156	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
Q8TDU6	GPBAR1	G-protein coupled bile acid receptor 1	T86273	SEA
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
Q13133	NR1H3	LXR-alpha	T52297	SEA
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
P53667	LIMK1	LIM domain kinase 1	T70840	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
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P09237	MMP7	Matrix metalloproteinase 7	T73475	SwissTargetPrediction
O75874	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	T69563	SwissTargetPrediction
P37288	AVPR1A	Vasopressin V1a receptor (by homology)	T79232	SwissTargetPrediction
Q9HAN5	TRP1	Cationic trypsinogen	T27602	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
P80365	HSD11B2	11-beta-hydroxysteroid dehydrogenase 2	T43721	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SwissTargetPrediction and SEA
P20701	ITGAL	Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2	T35640	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P30556	AGTR1	Type-1 angiotensin II receptor	T74456	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
Q14432	PDE3A	Phosphodiesterase 3	T88975	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
P05186	ALPL	Alkaline phosphatase, tissue-nonspecific isozyme	T09538	SwissTargetPrediction
Q13627	DYRK1A	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	T92803	SwissTargetPrediction
P24385	CCND1	Cyclin-dependent kinase 4/cyclin D1	T12355	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
Q05655	PRKCD	Protein kinase C delta	T44861	SwissTargetPrediction
O00311	CDC7	CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)	T81358	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P49336	CDK8	Cell division protein kinase 8	T10822	SwissTargetPrediction
Q99895	CTRC	Chymotrypsin C	T10118	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
P20839	IMPDH1	Inosine-5'-monophosphate dehydrogenase 1	T40111	SwissTargetPrediction
P12268	IMPDH2	Inosine-5'-monophosphate dehydrogenase 2	T89360	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
P53671	LIMK2	LIM domain kinase 2	T09133	SwissTargetPrediction
P37023	ACVRL1	Serine/threonine-protein kinase receptor R3	T36959	SwissTargetPrediction
P35557	GCK	Hexokinase type IV	T87166	SwissTargetPrediction
P25116	F2R	Proteinase-activated receptor 1	T36483	SwissTargetPrediction
P25106	ACKR3	C-X-C chemokine receptor type 7	T10491	SwissTargetPrediction
Q13464	ROCK1	Rho-associated protein kinase 1	T51282	SwissTargetPrediction
Q15910	EZH2	EZH2/SUZ12/EED/RBBP7/RBBP4	T25265	SwissTargetPrediction
Q00796	SORD	Sorbitol dehydrogenase	T59445	SwissTargetPrediction
P40189	IL6ST	Interleukin-6 receptor subunit beta	T93440	SwissTargetPrediction
Q15759	MAPK11	MAP kinase p38 beta	T55729	SwissTargetPrediction
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T59328	DI0030	Angina pectoris	[ICD-11: BA40]	P00533	EGFR
T59328	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00533	EGFR
T59328	DI0095	Colorectal cancer	[ICD-11: 2B91]	P00533	EGFR
T59328	DI0121	Diabetic foot ulcer	[ICD-11: BD54]	P00533	EGFR
T59328	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00533	EGFR
T59328	DI0238	Lung cancer	[ICD-11: 2C25]	P00533	EGFR
T59328	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P00533	EGFR
T59328	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P00533	EGFR
T59328	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P00533	EGFR
T59328	DI0420	Unspecific body region injury	[ICD-11: ND56]	P00533	EGFR
T77365	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P29274	ADORA2A
T77365	DI0331	Parkinsonism	[ICD-11: 8A00]	P29274	ADORA2A
T77365	DI0359	Radionuclide imaging	[ICD-11: N.A.]	P29274	ADORA2A
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
T62292	DI0216	Intentional self-harm	[ICD-11: PC91]	P34903	GABRA3
T51452	DI0216	Intentional self-harm	[ICD-11: PC91]	P47869	GABRA2
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
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
T67162	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P14416	DRD2
T67162	DI0025	Alzheimer disease	[ICD-11: 8A20]	P14416	DRD2
T67162	DI0037	Asthma	[ICD-11: CA23]	P14416	DRD2
T67162	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P14416	DRD2
T67162	DI0051	Bipolar disorder	[ICD-11: 6A60]	P14416	DRD2
T67162	DI0063	Breathing abnormality	[ICD-11: MD11]	P14416	DRD2
T67162	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P14416	DRD2
T67162	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P14416	DRD2
T67162	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14416	DRD2
T67162	DI0124	Digestive system disease	[ICD-11: DE2Z]	P14416	DRD2
T67162	DI0137	Essential hypertension	[ICD-11: BA00]	P14416	DRD2
T67162	DI0142	Faecal incontinence	[ICD-11: ME07]	P14416	DRD2
T67162	DI0156	Gangrene	[ICD-11: MC85]	P14416	DRD2
T67162	DI0166	Glaucoma	[ICD-11: 9C61]	P14416	DRD2
T67162	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P14416	DRD2
T67162	DI0185	Hyperaemia	[ICD-11: 9A61-9B7Y]	P14416	DRD2
T67162	DI0190	Hypertension	[ICD-11: BA00-BA04]	P14416	DRD2
T67162	DI0196	Hypotension	[ICD-11: BA20-BA21]	P14416	DRD2
T67162	DI0205	Inborn porphyrin/heme metabolism error	[ICD-11: 5C58]	P14416	DRD2
T67162	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14416	DRD2
T67162	DI0222	Itching	[ICD-11: 1F28-1G07]	P14416	DRD2
T67162	DI0264	Migraine	[ICD-11: 8A80]	P14416	DRD2
T67162	DI0293	Nausea/vomiting	[ICD-11: MD90]	P14416	DRD2
T67162	DI0324	Pain	[ICD-11: MG30-MG3Z]	P14416	DRD2
T67162	DI0331	Parkinsonism	[ICD-11: 8A00]	P14416	DRD2
T67162	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P14416	DRD2
T67162	DI0340	Postpartum haemorrhage	[ICD-11: JA43]	P14416	DRD2
T67162	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P14416	DRD2
T67162	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P14416	DRD2
T67162	DI0370	Schizophrenia	[ICD-11: 6A20]	P14416	DRD2
T67162	DI0396	Substance abuse	[ICD-11: 6C40]	P14416	DRD2
T67162	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P14416	DRD2
T67162	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P14416	DRD2
T19160	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P14555	PLA2G2A
T05409	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08473	MME
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
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T86679	DI0180	Herpes simplex infection	[ICD-11: 1F00]	P29275	ADORA2B
T86679	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P29275	ADORA2B
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
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
T11754	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	O00519	FAAH
T72168	DI0018	Adrenocortical insufficiency	[ICD-11: 5A74]	P08235	NR3C2
T72168	DI0083	Chronic kidney disease	[ICD-11: GB61]	P08235	NR3C2
T72168	DI0100	Contraceptive management	[ICD-11: QA21]	P08235	NR3C2
T72168	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08235	NR3C2
T72168	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08235	NR3C2
T72168	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P08235	NR3C2
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
T33901	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q9UHC9	NPC1L1
T02562	DI0025	Alzheimer disease	[ICD-11: 8A20]	O14684	PTGES
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
T49156	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P17706	PTPN2
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
T86273	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	Q8TDU6	GPBAR1
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
T52297	DI0117	Depression	[ICD-11: 6A70-6A7Z]	Q13133	NR1H3
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
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
T28484	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P52732	KIF11
T28484	DI0172	Head and neck cancer	[ICD-11: 2D42]	P52732	KIF11
T28484	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P52732	KIF11
T28484	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P52732	KIF11
T28484	DI0274	Multiple myeloma	[ICD-11: 2A83]	P52732	KIF11
T28484	DI0321	Ovarian cancer	[ICD-11: 2C73]	P52732	KIF11
T28484	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P52732	KIF11
T28484	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P52732	KIF11
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
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
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
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T73475	DI0238	Lung cancer	[ICD-11: 2C25]	P09237	MMP7
T69563	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O75874	IDH1
T79232	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37288	AVPR1A
T79232	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P37288	AVPR1A
T79232	DI0190	Hypertension	[ICD-11: BA00-BA04]	P37288	AVPR1A
T79232	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P37288	AVPR1A
T79232	DI0236	Localisation	[ICD-11: N.A.]	P37288	AVPR1A
T27602	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	Q9HAN5	TRP1
T27602	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9HAN5	TRP1
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T43721	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P80365	HSD11B2
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
T89041	DI0346	Prostate cancer	[ICD-11: 2C82]	P05093	CYP17A1
T35640	DI0351	Psoriasis	[ICD-11: EA90]	P20701	ITGAL
T35640	DI0436	Visual system disease	[ICD-11: 9E1Z]	P20701	ITGAL
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
T62460	DI0039	Atopic eczema	[ICD-11: EA80]	P23458	JAK1
T62460	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P23458	JAK1
T62460	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P23458	JAK1
T62460	DI0404	Thrombocytosis	[ICD-11: 3B63]	P23458	JAK1
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T74456	DI0137	Essential hypertension	[ICD-11: BA00]	P30556	AGTR1
T74456	DI0190	Hypertension	[ICD-11: BA00-BA04]	P30556	AGTR1
T74456	DI0373	Secondary hypertension	[ICD-11: BA04]	P30556	AGTR1
T74456	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	P30556	AGTR1
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
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
T88975	DI0035	Arterial occlusive disease	[ICD-11: BD40]	Q14432	PDE3A
T88975	DI0037	Asthma	[ICD-11: CA23]	Q14432	PDE3A
T88975	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q14432	PDE3A
T88975	DI0404	Thrombocytosis	[ICD-11: 3B63]	Q14432	PDE3A
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
T09538	DI0164	Genetic prion disease	[ICD-11: 8E02]	P05186	ALPL
T09538	DI0330	Parasitic infection	[ICD-11: 1D0Y-1G2Z]	P05186	ALPL
T92803	DI0113	Cytomegaloviral disease	[ICD-11: 1D82]	Q13627	DYRK1A
T12355	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P24385	CCND1
T23172	DI0023	Alopecia	[ICD-11: ED70]	P52333	JAK3
T23172	DI0039	Atopic eczema	[ICD-11: EA80]	P52333	JAK3
T23172	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P52333	JAK3
T23172	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P52333	JAK3
T44861	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q05655	PRKCD
T81358	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00311	CDC7
T81358	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O00311	CDC7
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
T10822	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P49336	CDK8
T10822	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P49336	CDK8
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T40111	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P20839	IMPDH1
T40111	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	P20839	IMPDH1
T40111	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P20839	IMPDH1
T40111	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P20839	IMPDH1
T40111	DI0413	Transplant rejection	[ICD-11: NE84]	P20839	IMPDH1
T89360	DI0413	Transplant rejection	[ICD-11: NE84]	P12268	IMPDH2
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
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
T36959	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P37023	ACVRL1
T87166	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P35557	GCK
T87166	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P35557	GCK
T87166	DI0308	Obesity	[ICD-11: 5B80-5B81]	P35557	GCK
T87166	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P35557	GCK
T36483	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P25116	F2R
T10491	DI0037	Asthma	[ICD-11: CA23]	P25106	ACKR3
T10491	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25106	ACKR3
T51282	DI0166	Glaucoma	[ICD-11: 9C61]	Q13464	ROCK1
T25265	DI0151	Follicular lymphoma	[ICD-11: 2A80]	Q15910	EZH2
T93440	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P40189	IL6ST
T55729	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q15759	MAPK11
T55729	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q15759	MAPK11
T08910	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P18507	GABRG2
T08910	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P18507	GABRG2
T08910	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P18507	GABRG2