Compound details

Ecdysone

Compound ID	CDAMM02583
Common name	Ecdysone
IUPAC name	17-(3,6-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular formula	C₂₇H₄₄O₆

Experimental data

Retention time	5.07
Adduct	[M+H]+
Actual mz	465.32
Theoretical mz	465.321
Error	2.1
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.1052

Identifiers and class information

Inchi key	UPEZCKBFRMILAV-XRNWSDMLNA-N
Smiles	O=C1C=C2C(CCC3(C)C(CCC23O)C(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Convolvulus prostratus Forssk.

Clitoria ternatea L.

External sources

HMDB ID
KNApSAcK ID	C00003651
FooDB ID	FDB007162
DrugBank ID
ChEBI ID	CHEBI:16688
Pubchem Compound ID	4233007
PlantCyc ID
UNPD ID	UNPD132730
Coconut ID	CNP0197088
LipidMAPS ID	LMST01010210
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)	10
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	464.641
Computed dipole moment(dipole)	5.853
Total solvent accessible surface area (SASA)	730.984
Hydrophobic component of SASA (FOSA)	512.153
Hydrophilic component of SASA (FISA)	218.832
Pie component of the SASA (PISA)	0
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1435.32
Number of hydrogen bond donors (donorHB)	5
Number of hydrogen bond acceptors (accptHB)	8.6
Free energy of solvation of dipole (dip^2/V)	0.0238713
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0263072
Globularity descriptor (glob)	0.841826
Predicted polarizability in cubic angstroms (QPpolrz)	44.866
Predicted hexadecane/gas partition coefficient (QPlogPC16)	14.135
Predicted octanol/gas partition coefficient (QPlogPoct)	27.156
Predicted water/gas partition coefficient (QPlogPw)	16.555
Predicted octanol/water partition coefficient (QPlogPo/w)	2.624
Predicted aqueous solubility (QPlogS)	-4.56
Conformation-independent predicted aqueous solubility (CIQPlogS)	-5.048
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.091
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	83.314
Predicted brain/blood partition coefficient (QPlogBB)	-2.098
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	33.711
Predicted skin permeability, log Kp (QPlogKp)	-4.592
PM3 calculated ionization potential (IP(ev))	10.343
PM3 calculated electron affinity (EA(eV))	0.498
Number of likely metabolic reactions (#metab)	7
Prediction of binding to human serum albumin (QPlogKhsa)	0.277
Predicted qualitative human oral absorption (HumanOralAbsorption)	2
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	76.686
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)	126.721
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
P35228	NOS2	Nitric oxide synthase, inducible	T02703	SwissTargetPrediction
P04818	TYMS	Thymidylate synthase (by homology)	T98397	SwissTargetPrediction
Q99720	SIGMAR1	Sigma opioid receptor	T46360	SwissTargetPrediction
Q8TDS4	HCAR2	Hydroxycarboxylic acid receptor 2	T88185	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P11712	CYP2C9	Cytochrome P450 2C9	T19244	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P08473	MME	Neprilysin	T05409	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P31213	SRD5A2	Steroid 5-alpha-reductase 2	T71390	SwissTargetPrediction
P27338	MAOB	Monoamine oxidase B	T83011	SwissTargetPrediction
P31645	SLC6A4	Serotonin transporter (by homology)	T27812	SwissTargetPrediction
P41595	HTR2B	Serotonin 2b (5-HT2b) receptor	T31204	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
Q01959	SLC6A3	Dopamine transporter	T55959	SwissTargetPrediction
P15121	AKR1B1	Aldose reductase	T26623	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
P08235	NR3C2	Mineralocorticoid receptor	T72168	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
P08185	SERPINA6	Corticosteroid binding globulin	T88452	SwissTargetPrediction
P07148	FABP1	Fatty acid-binding protein, liver (by homology)	T73712	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction
Q9UHC9	NPC1L1	Niemann-Pick C1-like protein 1	T33901	SwissTargetPrediction and 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
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P06746	POLB	DNA polymerase beta (by homology)	T06958	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P03372	ESR1	Estrogen receptor alpha	T02506	SwissTargetPrediction
P09917	ALOX5	Arachidonate 5-lipoxygenase	T00140	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P37231	PPARG	Peroxisome proliferator-activated receptor gamma	T58921	SwissTargetPrediction
P43116	PTGER2	Prostanoid EP2 receptor	T38529	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
P24723	PRKCH	Protein kinase C eta	T40149	SwissTargetPrediction
P80365	HSD11B2	11-beta-hydroxysteroid dehydrogenase 2	T43721	SwissTargetPrediction
Q06124	PTPN11	Protein-tyrosine phosphatase 2C	T13057	SwissTargetPrediction
Q16850	CYP51A1	Cytochrome P450 51 (by homology)	T32972	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P20701	ITGAL	Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2	T35640	SwissTargetPrediction
P01375	TNF	TNF-alpha	T20178	SwissTargetPrediction
P30556	AGTR1	Type-1 angiotensin II receptor	T74456	SwissTargetPrediction
P35408	PTGER4	Prostanoid EP4 receptor	T18876	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P23109	AMPD1	AMP deaminase 1	T84553	SwissTargetPrediction
P34995	PTGER1	Prostanoid EP1 receptor	T15497	SwissTargetPrediction
P25101	EDNRA	Endothelin receptor ET-A	T23499	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P24557	TBXAS1	Thromboxane-A synthase	T78356	SwissTargetPrediction
P50052	AGTR2	Angiotensin II receptor	T09909	SwissTargetPrediction
P43088	PTGFR	Prostanoid FP receptor	T75797	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
Q9NQR1	KMT5A	N-lysine methyltransferase SETD8	T30420	SwissTargetPrediction
P35398	RORA	Nuclear receptor ROR-alpha	T43206	SwissTargetPrediction
P21453	S1PR1	Sphingosine 1-phosphate receptor Edg-1	T13852	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
P24530	EDNRB	Endothelin receptor ET-B	T92828	SwissTargetPrediction
P53671	LIMK2	LIM domain kinase 2	T09133	SwissTargetPrediction
P37023	ACVRL1	Serine/threonine-protein kinase receptor R3	T36959	SwissTargetPrediction
P23109	AMPD1	AMP deaminase 1	T84553	SwissTargetPrediction
P29401	TKT	Transketolase	T67754	SwissTargetPrediction
Q12866	MERTK	Proto-oncogene tyrosine-protein kinase MER	T55781	SwissTargetPrediction
Q00796	SORD	Sorbitol dehydrogenase	T59445	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
Q06418	TYRO3	Tyrosine-protein kinase receptor TYRO3	T94880	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P30530	AXL	Tyrosine-protein kinase receptor UFO	T82383	SwissTargetPrediction
P05231	IL6	Interleukin-6	T32578	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T02703	DI0083	Chronic kidney disease	[ICD-11: GB61]	P35228	NOS2
T02703	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P35228	NOS2
T02703	DI0375	Sepsis	[ICD-11: 1G40-1G41]	P35228	NOS2
T02703	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35228	NOS2
T98397	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04818	TYMS
T98397	DI0395	Stomach cancer	[ICD-11: 2B72]	P04818	TYMS
T46360	DI0105	Cough	[ICD-11: MD12]	Q99720	SIGMAR1
T88185	DI0203	Inborn lipid metabolism error	[ICD-11: 5C52]	Q8TDS4	HCAR2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T19244	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P11712	CYP2C9
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
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
T05409	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08473	MME
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
T71390	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P31213	SRD5A2
T83011	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	P27338	MAOB
T83011	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P27338	MAOB
T83011	DI0190	Hypertension	[ICD-11: BA00-BA04]	P27338	MAOB
T83011	DI0243	Malaria	[ICD-11: 1F40-1F45]	P27338	MAOB
T83011	DI0264	Migraine	[ICD-11: 8A80]	P27338	MAOB
T83011	DI0331	Parkinsonism	[ICD-11: 8A00]	P27338	MAOB
T27812	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P31645	SLC6A4
T27812	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P31645	SLC6A4
T27812	DI0087	Chronic pain	[ICD-11: MG30]	P31645	SLC6A4
T27812	DI0096	concerning food/fluid intake symptom	[ICD-11: MG43]	P31645	SLC6A4
T27812	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P31645	SLC6A4
T27812	DI0105	Cough	[ICD-11: MD12]	P31645	SLC6A4
T27812	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P31645	SLC6A4
T27812	DI0264	Migraine	[ICD-11: 8A80]	P31645	SLC6A4
T27812	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	P31645	SLC6A4
T27812	DI0308	Obesity	[ICD-11: 5B80-5B81]	P31645	SLC6A4
T27812	DI0324	Pain	[ICD-11: MG30-MG3Z]	P31645	SLC6A4
T31204	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P41595	HTR2B
T31204	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P41595	HTR2B
T31204	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P41595	HTR2B
T31204	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P41595	HTR2B
T78709	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P08908	HTR1A
T78709	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P08908	HTR1A
T78709	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08908	HTR1A
T78709	DI0264	Migraine	[ICD-11: 8A80]	P08908	HTR1A
T78709	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	P08908	HTR1A
T55959	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	Q01959	SLC6A3
T55959	DI0051	Bipolar disorder	[ICD-11: 6A60]	Q01959	SLC6A3
T55959	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	Q01959	SLC6A3
T55959	DI0290	Narcolepsy	[ICD-11: 7A20]	Q01959	SLC6A3
T55959	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q01959	SLC6A3
T55959	DI0331	Parkinsonism	[ICD-11: 8A00]	Q01959	SLC6A3
T26623	DI0298	Neuropathy	[ICD-11: 8C0Z]	P15121	AKR1B1
T26623	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P15121	AKR1B1
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
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
T88452	DI0037	Asthma	[ICD-11: CA23]	P08185	SERPINA6
T88452	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P08185	SERPINA6
T88452	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08185	SERPINA6
T73712	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P07148	FABP1
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
T06958	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06746	POLB
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
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
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T02551	DI0051	Bipolar disorder	[ICD-11: 6A60]	P35462	DRD3
T02551	DI0331	Parkinsonism	[ICD-11: 8A00]	P35462	DRD3
T22118	DI0003	Abortion	[ICD-11: JA00]	P21728	DRD1
T22118	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21728	DRD1
T22118	DI0190	Hypertension	[ICD-11: BA00-BA04]	P21728	DRD1
T22118	DI0331	Parkinsonism	[ICD-11: 8A00]	P21728	DRD1
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
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
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
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
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
T58921	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37231	PPARG
T58921	DI0025	Alzheimer disease	[ICD-11: 8A20]	P37231	PPARG
T58921	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P37231	PPARG
T38529	DI0003	Abortion	[ICD-11: JA00]	P43116	PTGER2
T38529	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P43116	PTGER2
T38529	DI0121	Diabetic foot ulcer	[ICD-11: BD54]	P43116	PTGER2
T38529	DI0166	Glaucoma	[ICD-11: 9C61]	P43116	PTGER2
T38529	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P43116	PTGER2
T38529	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P43116	PTGER2
T38529	DI0413	Transplant rejection	[ICD-11: NE84]	P43116	PTGER2
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T40149	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P24723	PRKCH
T43721	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P80365	HSD11B2
T13057	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06124	PTPN11
T32972	DI0209	Infectious meningitis	[ICD-11: 1D01]	Q16850	CYP51A1
T32972	DI0289	Nail/perionychium infection	[ICD-11: EE12]	Q16850	CYP51A1
T32972	DI0316	Onchocerciasis	[ICD-11: 1F6A]	Q16850	CYP51A1
T89041	DI0346	Prostate cancer	[ICD-11: 2C82]	P05093	CYP17A1
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
T35640	DI0351	Psoriasis	[ICD-11: EA90]	P20701	ITGAL
T35640	DI0436	Visual system disease	[ICD-11: 9E1Z]	P20701	ITGAL
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
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
T18876	DI0037	Asthma	[ICD-11: CA23]	P35408	PTGER4
T18876	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P35408	PTGER4
T18876	DI0264	Migraine	[ICD-11: 8A80]	P35408	PTGER4
T18876	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P35408	PTGER4
T18876	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35408	PTGER4
T18876	DI0360	Rectum cancer	[ICD-11: 2B92]	P35408	PTGER4
T18876	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35408	PTGER4
T18876	DI0414	Transplanted organ/tissue	[ICD-11: QB63]	P35408	PTGER4
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
T15497	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P34995	PTGER1
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
T07173	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04629	NTRK1
T07173	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04629	NTRK1
T78356	DI0030	Angina pectoris	[ICD-11: BA40]	P24557	TBXAS1
T09909	DI0190	Hypertension	[ICD-11: BA00-BA04]	P50052	AGTR2
T09909	DI0373	Secondary hypertension	[ICD-11: BA04]	P50052	AGTR2
T75797	DI0003	Abortion	[ICD-11: JA00]	P43088	PTGFR
T75797	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P43088	PTGFR
T75797	DI0166	Glaucoma	[ICD-11: 9C61]	P43088	PTGFR
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T30420	DI0235	Liver cancer	[ICD-11: 2C12]	Q9NQR1	KMT5A
T30420	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9NQR1	KMT5A
T43206	DI0235	Liver cancer	[ICD-11: 2C12]	P35398	RORA
T43206	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P35398	RORA
T13852	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P21453	S1PR1
T13852	DI0419	Ulcerative colitis	[ICD-11: DD71]	P21453	S1PR1
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
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
T55781	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q12866	MERTK
T55781	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q12866	MERTK
T55781	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	Q12866	MERTK
T55781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q12866	MERTK
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T94880	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06418	TYRO3
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
T82383	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P30530	AXL
T32578	DI0028	Anemia	[ICD-11: 3A00-3A9Z]	P05231	IL6