Compound details

Pregnenolone

Compound ID	CDAMM00972
Common name	Pregnenolone
IUPAC name	1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Molecular formula	C₂₁H₃₂O₂

Experimental data

Retention time	17.08
Adduct	[2M+K]+
Actual mz	671.45
Theoretical mz	671.443
Error	9.45
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.2415

Identifiers and class information

Inchi key	ORNBQBCIOKFOEO-STZXPNGSSA-N
Smiles	O=C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Cinnamomum verum J. Presl

External sources

HMDB ID	HMDB0000253
KNApSAcK ID	C00047082
FooDB ID	FDB021920
DrugBank ID	DB02789
ChEBI ID	CHEBI:16581
Pubchem Compound ID	1027
PlantCyc ID	PREGNENOLONE
UNPD ID	UNPD125539
Coconut ID	CNP0185007
LipidMAPS ID	LMST02030088
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)	2
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	316.483
Computed dipole moment(dipole)	5.048
Total solvent accessible surface area (SASA)	563.427
Hydrophobic component of SASA (FOSA)	462.623
Hydrophilic component of SASA (FISA)	75.506
Pie component of the SASA (PISA)	25.297
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1063.6
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	3.7
Free energy of solvation of dipole (dip^2/V)	0.0239544
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.006567
Globularity descriptor (glob)	0.894359
Predicted polarizability in cubic angstroms (QPpolrz)	35.368
Predicted hexadecane/gas partition coefficient (QPlogPC16)	9.192
Predicted octanol/gas partition coefficient (QPlogPoct)	14.997
Predicted water/gas partition coefficient (QPlogPw)	6.429
Predicted octanol/water partition coefficient (QPlogPo/w)	3.77
Predicted aqueous solubility (QPlogS)	-4.806
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.206
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-3.362
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	1904.9
Predicted brain/blood partition coefficient (QPlogBB)	-0.186
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	992.795
Predicted skin permeability, log Kp (QPlogKp)	-2.63
PM3 calculated ionization potential (IP(ev))	9.381
PM3 calculated electron affinity (EA(eV))	-0.807
Number of likely metabolic reactions (#metab)	4
Prediction of binding to human serum albumin (QPlogKhsa)	0.731
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
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)	46.228
Number of nitrogen and oxygen atoms (#NandO)	2
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
Number of violations of Jorgensen’s rule of three (RuleOfThree)	0

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
P22303	ACHE	Acetylcholinesterase	T30082	SwissTargetPrediction
Q12809	KCNH2	HERG	T20251	SwissTargetPrediction
P20309	CHRM3	Muscarinic acetylcholine receptor M3	T67684	SwissTargetPrediction
P35228	NOS2	Nitric oxide synthase, inducible	T02703	SwissTargetPrediction
Q99720	SIGMAR1	Sigma opioid receptor	T46360	SwissTargetPrediction
O75899	GABBR2	GABA-B receptor	T42446	SwissTargetPrediction
O75899	GABBR2	GABA-B receptor	T42446	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
Q4U2R8	SLC22A6	Solute carrier family 22 member 6 (by homology)	T70680	SwissTargetPrediction
Q15125	EBP	Anti-estrogen binding site (AEBS)	T25317	SEA
P04054	PLA2G1B	Phospholipase A2 group 1B	T31479	SwissTargetPrediction
P31213	SRD5A2	Steroid 5-alpha-reductase 2	T71390	SwissTargetPrediction and SEA
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
P31645	SLC6A4	Serotonin transporter (by homology)	T27812	SwissTargetPrediction
P42785	PRCP	Lysosomal Pro-X carboxypeptidase	T20371	SwissTargetPrediction
Q01959	SLC6A3	Dopamine transporter	T55959	SwissTargetPrediction
P14867	GABRA1	GABA-A receptor; alpha-1/beta-2/gamma-2	T51487	SEA
Q5T7T8	COX1	Prostaglandin G/H synthase 1	T60529	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction and SEA
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction and SEA
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	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 and SEA
P07148	FABP1	Fatty acid-binding protein, liver (by homology)	T73712	SwissTargetPrediction
Q14994	NR1I3	Nuclear receptor subfamily 1 group I member 3 (by homology)	T69506	SwissTargetPrediction
P18405	SRD5A1	Steroid 5-alpha-reductase 1	T70309	SwissTargetPrediction and SEA
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction and SEA
Q9UHC9	NPC1L1	Niemann-Pick C1-like protein 1	T33901	SwissTargetPrediction and SEA
O14684	PTGES	Prostaglandin E synthase	T02562	SwissTargetPrediction
P29350	PTPN6	Protein-tyrosine phosphatase 1C	T98264	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P17706	PTPN2	T-cell protein-tyrosine phosphatase	T49156	SwissTargetPrediction
P14902	IDO1	Indoleamine 2,3-dioxygenase	T89697	SwissTargetPrediction
P15090	FABP4	Fatty acid binding protein adipocyte	T07217	SwissTargetPrediction
Q07869	PPARA	Peroxisome proliferator-activated receptor alpha	T86591	SwissTargetPrediction
Q01469	FABP5	Fatty acid binding protein epidermal	T21507	SwissTargetPrediction
Q03181	PPARD	Peroxisome proliferator-activated receptor delta	T36557	SwissTargetPrediction
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
Q8TDU6	GPBAR1	G-protein coupled bile acid receptor 1	T86273	SEA
P06746	POLB	DNA polymerase beta (by homology)	T06958	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
P03372	ESR1	Estrogen receptor alpha	T02506	SwissTargetPrediction and SEA
Q13133	NR1H3	LXR-alpha	T52297	SwissTargetPrediction
Q15465	SHH	Sonic hedgehog protein (by homology)	T12075	SEA
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P23975	SLC6A2	Norepinephrine transporter	T21945	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
P08172	CHRM2	Muscarinic acetylcholine receptor M2	T46185	SwissTargetPrediction
P37231	PPARG	Peroxisome proliferator-activated receptor gamma	T58921	SwissTargetPrediction
O14746	TERT	Telomerase reverse transcriptase	T86052	SwissTargetPrediction
O00767	SCD	Acyl-CoA desaturase	T10897	SwissTargetPrediction
P48147	PREP	Prolyl endopeptidase	T86161	SwissTargetPrediction
P51449	RORC	Nuclear receptor ROR-gamma	T25307	SwissTargetPrediction
Q08499	PDE4D	Phosphodiesterase 4D	T02001	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
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P11413	G6PD	Glucose-6-phosphate 1-dehydrogenase	T63484	SwissTargetPrediction and SEA
Q16850	CYP51A1	Cytochrome P450 51 (by homology)	T32972	SwissTargetPrediction
Q15722	LTB4R	Leukotriene B4 receptor 1	T59626	SwissTargetPrediction
P05093	CYP17A1	Cytochrome P450 17A1	T89041	SwissTargetPrediction and SEA
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P11388	TOP2A	DNA topoisomerase II alpha	T17048	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
P35408	PTGER4	Prostanoid EP4 receptor	T18876	SwissTargetPrediction
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P34995	PTGER1	Prostanoid EP1 receptor	T15497	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P21730	C5AR1	C5a anaphylatoxin chemotactic receptor	T15439	SwissTargetPrediction
Q13258	PTGDR	Prostanoid DP receptor	T68782	SwissTargetPrediction
P43088	PTGFR	Prostanoid FP receptor	T75797	SwissTargetPrediction
P60568	IL2	Interleukin-2	T61698	SEA
P35398	RORA	Nuclear receptor ROR-alpha	T43206	SwissTargetPrediction and SEA
P43119	PTGIR	Prostanoid IP receptor	T99954	SwissTargetPrediction
P21453	S1PR1	Sphingosine 1-phosphate receptor Edg-1	T13852	SwissTargetPrediction
P29317	EPHA2	Ephrin type-A receptor 2	T57278	SEA
P25116	F2R	Proteinase-activated receptor 1	T36483	SwissTargetPrediction
P26439	HSD3B2	3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II	T40628	SEA
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
P22001	KCNA3	Voltage-gated potassium channel subunit Kv1.3	T76914	SwissTargetPrediction
Q12866	MERTK	Proto-oncogene tyrosine-protein kinase MER	T55781	SwissTargetPrediction
Q99500	S1PR3	Sphingosine 1-phosphate receptor Edg-3	T11241	SwissTargetPrediction
P54756	EPHA5	Ephrin type-A receptor 5	T18474	SEA
P54764	EPHA4	Ephrin type-A receptor 4	T70234	SEA
P54753	EPHB3	Ephrin type-B receptor 3	T56121	SEA
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SEA
P29322	EPHA8	Ephrin type-A receptor 8	T58266	SEA
Q15375	EPHA7	Ephrin type-A receptor 7	T57006	SEA
P54762	EPHB1	Ephrin type-B receptor 1	T02446	SEA
Q12772	SREBF2	Sterol regulatory element-binding protein 2	T03385	SwissTargetPrediction
P47870	GABRB2	GABA(A) receptor beta-2	T80387	SEA
O75751	EMTH	Organic cation transporter 3	T55948	SEA
O15439	ABCC4	Multidrug resistance protein 4	T39919	SEA
O14764	GABRD	GABA(A) receptor delta	T27376	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T28893	DI0001	Abdominal pelvic pain	[ICD-11: MD81]	P11229	CHRM1
T28893	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11229	CHRM1
T28893	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P11229	CHRM1
T28893	DI0129	Dystonic disorder	[ICD-11: 8A02]	P11229	CHRM1
T28893	DI0154	Functional bladder disorder	[ICD-11: GC50]	P11229	CHRM1
T28893	DI0157	Gastric ulcer	[ICD-11: DA60]	P11229	CHRM1
T28893	DI0166	Glaucoma	[ICD-11: 9C61]	P11229	CHRM1
T28893	DI0186	Hyperhidrosis	[ICD-11: EE00]	P11229	CHRM1
T28893	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P11229	CHRM1
T28893	DI0331	Parkinsonism	[ICD-11: 8A00]	P11229	CHRM1
T28893	DI0333	Peptic ulcer	[ICD-11: DA61]	P11229	CHRM1
T28893	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P11229	CHRM1
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
T67684	DI0037	Asthma	[ICD-11: CA23]	P20309	CHRM3
T67684	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P20309	CHRM3
T67684	DI0154	Functional bladder disorder	[ICD-11: GC50]	P20309	CHRM3
T67684	DI0166	Glaucoma	[ICD-11: 9C61]	P20309	CHRM3
T67684	DI0293	Nausea/vomiting	[ICD-11: MD90]	P20309	CHRM3
T67684	DI0333	Peptic ulcer	[ICD-11: DA61]	P20309	CHRM3
T67684	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P20309	CHRM3
T67684	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P20309	CHRM3
T67684	DI0382	Sjogren syndrome	[ICD-11: 4A43]	P20309	CHRM3
T67684	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P20309	CHRM3
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
T46360	DI0105	Cough	[ICD-11: MD12]	Q99720	SIGMAR1
T42446	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O75899	GABBR2
T42446	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	O75899	GABBR2
T42446	DI0275	Multiple sclerosis	[ICD-11: 8A40]	O75899	GABBR2
T42446	DI0290	Narcolepsy	[ICD-11: 7A20]	O75899	GABBR2
T42446	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O75899	GABBR2
T42446	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	O75899	GABBR2
T42446	DI0275	Multiple sclerosis	[ICD-11: 8A40]	O75899	GABBR2
T42446	DI0290	Narcolepsy	[ICD-11: 7A20]	O75899	GABBR2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T70680	DI0167	Gout	[ICD-11: FA25]	Q4U2R8	SLC22A6
T70680	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	Q4U2R8	SLC22A6
T70680	DI0310	Ocular disease	[ICD-11: N.A.]	Q4U2R8	SLC22A6
T25317	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q15125	EBP
T31479	DI0230	Leishmaniasis	[ICD-11: 1F54]	P04054	PLA2G1B
T31479	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P04054	PLA2G1B
T31479	DI0367	Rosacea	[ICD-11: ED90]	P04054	PLA2G1B
T31479	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P04054	PLA2G1B
T71390	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P31213	SRD5A2
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
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
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
T51487	DI0014	Acute respiratory distress syndrome	[ICD-11: CB00]	P14867	GABRA1
T51487	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P14867	GABRA1
T51487	DI0082	Chronic insomnia	[ICD-11: 7A00]	P14867	GABRA1
T51487	DI0087	Chronic pain	[ICD-11: MG30]	P14867	GABRA1
T51487	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P14867	GABRA1
T51487	DI0112	Cystitis	[ICD-11: GC00]	P14867	GABRA1
T51487	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14867	GABRA1
T51487	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P14867	GABRA1
T51487	DI0173	Headache	[ICD-11: 8A80-8A84]	P14867	GABRA1
T51487	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14867	GABRA1
T51487	DI0243	Malaria	[ICD-11: 1F40-1F45]	P14867	GABRA1
T51487	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P14867	GABRA1
T51487	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P14867	GABRA1
T60529	DI0141	Eye anterior segment structural developmental anomaly	[ICD-11: LA11]	Q5T7T8	COX1
T60529	DI0145	Female pelvic pain	[ICD-11: GA34]	Q5T7T8	COX1
T60529	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q5T7T8	COX1
T60529	DI0207	Indeterminate colitis	[ICD-11: DD72]	Q5T7T8	COX1
T60529	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q5T7T8	COX1
T60529	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q5T7T8	COX1
T60529	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q5T7T8	COX1
T60529	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q5T7T8	COX1
T60529	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q5T7T8	COX1
T60529	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	Q5T7T8	COX1
T60529	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	Q5T7T8	COX1
T60529	DI0419	Ulcerative colitis	[ICD-11: DD71]	Q5T7T8	COX1
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
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
T11754	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	O00519	FAAH
T83193	DI0163	General pain disorder	[ICD-11: 8E43]	Q8NER1	TRPV1
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
T69506	DI0126	Dizziness and giddiness	[ICD-11: MB48]	Q14994	NR1I3
T70309	DI0347	Prostate disease	[ICD-11: GA91]	P18405	SRD5A1
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
T89697	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14902	IDO1
T86591	DI0187	Hyperlipidemia	[ICD-11: 5C80]	Q07869	PPARA
T86591	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q07869	PPARA
T86591	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	Q07869	PPARA
T36557	DI0302	Non-alcoholic fatty liver disease	[ICD-11: DB92]	Q03181	PPARD
T36557	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q03181	PPARD
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
T06958	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06746	POLB
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
T02506	DI0106	COVID-19	[ICD-11: 1D6Y]	P03372	ESR1
T52297	DI0117	Depression	[ICD-11: 6A70-6A7Z]	Q13133	NR1H3
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T21945	DI0013	Acute pain	[ICD-11: MG31]	P23975	SLC6A2
T21945	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P23975	SLC6A2
T21945	DI0087	Chronic pain	[ICD-11: MG30]	P23975	SLC6A2
T21945	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P23975	SLC6A2
T21945	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P23975	SLC6A2
T21945	DI0166	Glaucoma	[ICD-11: 9C61]	P23975	SLC6A2
T21945	DI0264	Migraine	[ICD-11: 8A80]	P23975	SLC6A2
T21945	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	P23975	SLC6A2
T21945	DI0308	Obesity	[ICD-11: 5B80-5B81]	P23975	SLC6A2
T21945	DI0324	Pain	[ICD-11: MG30-MG3Z]	P23975	SLC6A2
T21945	DI0395	Stomach cancer	[ICD-11: 2B72]	P23975	SLC6A2
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
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
T46185	DI0037	Asthma	[ICD-11: CA23]	P08172	CHRM2
T46185	DI0166	Glaucoma	[ICD-11: 9C61]	P08172	CHRM2
T46185	DI0278	Muscle disorder	[ICD-11: FB32-FB3Z]	P08172	CHRM2
T46185	DI0333	Peptic ulcer	[ICD-11: DA61]	P08172	CHRM2
T46185	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08172	CHRM2
T46185	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P08172	CHRM2
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
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
T10897	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O00767	SCD
T86161	DI0092	Coeliac disease	[ICD-11: DA95]	P48147	PREP
T86161	DI0210	Influenza	[ICD-11: 1E30-1E32]	P48147	PREP
T86161	DI0238	Lung cancer	[ICD-11: 2C25]	P48147	PREP
T86161	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P48147	PREP
T25307	DI0042	Autoimmune disease	[ICD-11: 4A40-4A45]	P51449	RORC
T25307	DI0107	Crohn disease	[ICD-11: DD70]	P51449	RORC
T25307	DI0238	Lung cancer	[ICD-11: 2C25]	P51449	RORC
T25307	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P51449	RORC
T25307	DI0351	Psoriasis	[ICD-11: EA90]	P51449	RORC
T25307	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P51449	RORC
T02001	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q08499	PDE4D
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
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
T63484	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11413	G6PD
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
T59626	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	Q15722	LTB4R
T59626	DI0355	Pulmonary disease	[ICD-11: 1B10-1F85]	Q15722	LTB4R
T59626	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	Q15722	LTB4R
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
T17048	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11388	TOP2A
T17048	DI0225	Kaposi sarcoma	[ICD-11: 2B57]	P11388	TOP2A
T17048	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11388	TOP2A
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
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
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
T15497	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P34995	PTGER1
T15439	DI0431	Vasculitis	[ICD-11: 4A44]	P21730	C5AR1
T68782	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	Q13258	PTGDR
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
T61698	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P60568	IL2
T61698	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P60568	IL2
T43206	DI0235	Liver cancer	[ICD-11: 2C12]	P35398	RORA
T43206	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P35398	RORA
T99954	DI0003	Abortion	[ICD-11: JA00]	P43119	PTGIR
T99954	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P43119	PTGIR
T99954	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P43119	PTGIR
T13852	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P21453	S1PR1
T13852	DI0419	Ulcerative colitis	[ICD-11: DD71]	P21453	S1PR1
T57278	DI0060	Brain cancer	[ICD-11: 2A00]	P29317	EPHA2
T57278	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P29317	EPHA2
T36483	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P25116	F2R
T40628	DI0003	Abortion	[ICD-11: JA00]	P26439	HSD3B2
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T76914	DI0198	Idiopathic inflammatory myopathy	[ICD-11: 4A41]	P22001	KCNA3
T76914	DI0351	Psoriasis	[ICD-11: EA90]	P22001	KCNA3
T76914	DI0352	Psoriatic arthritis	[ICD-11: FA21]	P22001	KCNA3
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
T11241	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q99500	S1PR3
T70234	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P54764	EPHA4
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
T80387	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P47870	GABRB2
T80387	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P47870	GABRB2
T80387	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P47870	GABRB2
T80387	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P47870	GABRB2
T27376	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O14764	GABRD
T27376	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O14764	GABRD
T27376	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	O14764	GABRD