Compound details

3-Indolebutyric acid

Compound ID	CDAMM02096
Common name	3-Indolebutyric acid
IUPAC name	4-(1H-indol-3-yl)butanoic acid
Molecular formula	C₁₂H₁₃NO₂

Experimental data

Retention time	12.45
Adduct	[M+H]+
Actual mz	204.102
Theoretical mz	204.102
Error	1.1
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	5.9469

Identifiers and class information

Inchi key	JTEDVYBZBROSJT-UHFFFAOYSA-N
Smiles	O=C(O)CCCC1=CNC=2C=CC=CC21
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives

Plant source

Asparagus racemosus Willd.

External sources

HMDB ID	HMDB0002096
KNApSAcK ID	C00000116
FooDB ID	FDB001404
DrugBank ID	DB02740
ChEBI ID	CHEBI:33070
Pubchem Compound ID	8617
PlantCyc ID	CPD-10507
UNPD ID	UNPD62299
Coconut ID	CNP0196064
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)	1
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	4
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	-1
Molecular weight (mol_MW)	203.24
Computed dipole moment(dipole)	6.103
Total solvent accessible surface area (SASA)	443.337
Hydrophobic component of SASA (FOSA)	97.125
Hydrophilic component of SASA (FISA)	135.984
Pie component of the SASA (PISA)	210.228
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	724.435
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	2
Free energy of solvation of dipole (dip^2/V)	0.0514085
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0063799
Globularity descriptor (glob)	0.879895
Predicted polarizability in cubic angstroms (QPpolrz)	22.277
Predicted hexadecane/gas partition coefficient (QPlogPC16)	7.808
Predicted octanol/gas partition coefficient (QPlogPoct)	11.724
Predicted water/gas partition coefficient (QPlogPw)	7.158
Predicted octanol/water partition coefficient (QPlogPo/w)	2.646
Predicted aqueous solubility (QPlogS)	-2.789
Conformation-independent predicted aqueous solubility (CIQPlogS)	-2.93
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-2.67
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	128.814
Predicted brain/blood partition coefficient (QPlogBB)	-0.849
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	68.669
Predicted skin permeability, log Kp (QPlogKp)	-2.901
PM3 calculated ionization potential (IP(ev))	8.359
PM3 calculated electron affinity (EA(eV))	0.057
Number of likely metabolic reactions (#metab)	2
Prediction of binding to human serum albumin (QPlogKhsa)	-0.238
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	80.204
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)	64.654
Number of nitrogen and oxygen atoms (#NandO)	3
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
P22303	ACHE	Acetylcholinesterase	T30082	SEA
O15379	HDAC3	Histone deacetylase 3	T05090	SEA
P21917	DRD4	Dopamine D4 receptor	T24983	SEA
P14416	DRD2	Dopamine D2 receptor	T67162	SEA
Q4U2R8	SLC22A6	Solute carrier family 22 member 6 (by homology)	T70680	SEA
P08473	MME	Neprilysin	T05409	SEA
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SEA
P28335	HTR2C	Serotonin 2c (5-HT2c) receptor	T83813	SEA
P31645	SLC6A4	Serotonin transporter (by homology)	T27812	SEA
P41595	HTR2B	Serotonin 2b (5-HT2b) receptor	T31204	SEA
P28222	HTR1B	Serotonin 1b (5-HT1b) receptor	T07806	SEA
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SEA
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SEA
P28566	HTR1E	Serotonin 1e (5-HT1e) receptor	T84117	SEA
P34969	HTR7	Serotonin 7 (5-HT7) receptor	T79062	SEA
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SEA
P14867	GABRA1	GABA-A receptor; alpha-1/beta-2/gamma-2	T51487	SEA
Q9UQL6	HDAC5	Histone deacetylase 5	T07930	SEA
Q8WUI4	HDAC7	Histone deacetylase 7	T98698	SEA
P56524	HDAC4	Histone deacetylase 4	T63816	SEA
Q9UKV0	HDAC9	Histone deacetylase 9	T03687	SEA
P05164	MPO	Myeloperoxidase	T23471	SEA
Q92769	HDAC2	Histone deacetylase 2	T51191	SEA
P23141	CES1	Acyl coenzyme A:cholesterol acyltransferase	T76369	SEA
Q8NER1	TRPV1	Vanilloid receptor	T83193	SEA
P08235	NR3C2	Mineralocorticoid receptor	T72168	SEA
P04150	NR3C1	Glucocorticoid receptor	T40016	SEA
Q01469	FABP5	Fatty acid binding protein epidermal	T21507	SEA
O14842	FFAR1	Free fatty acid receptor 1	T25608	SEA
P06746	POLB	DNA polymerase beta (by homology)	T06958	SEA
P08253	MMP2	Matrix metalloproteinase 2	T68251	SEA
P22894	MMP8	Matrix metalloproteinase 8	T08856	SEA
P08254	MMP3	Matrix metalloproteinase 3	T86702	SEA
P14780	MMP9	Matrix metalloproteinase 9	T54156	SEA
P03956	MMP1	Matrix metalloproteinase 1	T52450	SEA
P35462	DRD3	Dopamine D3 receptor	T02551	SEA
P21731	TBXA2R	Thromboxane A2 receptor	T76198	SEA
Q13639	HTR4	Serotonin 4 (5-HT4) receptor	T59679	SEA
P35372	OPRM1	Mu opioid receptor	T47768	SEA
P06276	BCHE	Butyrylcholinesterase	T99799	SEA
P09237	MMP7	Matrix metalloproteinase 7	T73475	SEA
P13497	BMP1	Bone morphogenetic protein 1	T53350	SEA
P35270	SPR	Substance-P receptor	T47094	SEA
P07711	CTSL	Cathepsin L	T98691	SEA
P32245	MC4R	Melanocortin receptor 4	T72458	SEA
P07858	CTSB	Cathepsin (B and K)	T61746	SEA
Q92847	GHSR	Ghrelin receptor	T59604	SEA
P41143	OPRD1	Delta opioid receptor	T58992	SEA
Q01726	MC1R	Melanocortin receptor 1	T35842	SEA
P41968	MC3R	Melanocortin receptor 3	T76846	SEA
Q15722	LTB4R	Leukotriene B4 receptor 1	T59626	SEA
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SEA
Q6P179	ERAP2	Endoplasmic reticulum aminopeptidase 2	T65818	SEA
P47898	HTR5A	Serotonin 5a (5-HT5a) receptor	T15571	SEA
P48039	MTNR1A	Melatonin receptor 1A	T97613	SEA
P49286	MTNR1B	Melatonin receptor 1B	T48268	SEA
P47712	PLA2G4A	Cytosolic phospholipase A2	T14834	SEA
P42892	ECE1	Endothelin-converting enzyme 1	T50970	SEA
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SEA
P25101	EDNRA	Endothelin receptor ET-A	T23499	SEA
P35346	SSTR5	Somatostatin receptor 5	T64830	SEA
P30874	SSTR2	Somatostatin receptor 2	T53024	SEA
P31391	SSTR4	Somatostatin receptor 4	T62974	SEA
P30872	SSTR1	Somatostatin receptor 1	T16633	SEA
P32745	SSTR3	Somatostatin receptor 3	T13644	SEA
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SEA
Q8TDS5	OXER1	Oxoeicosanoid receptor 1	T68834	SEA
P43088	PTGFR	Prostanoid FP receptor	T75797	SEA
P50281	MMP14	Matrix metalloproteinase 14	T65019	SEA
Q9Y243	AKT3	Serine/threonine-protein kinase AKT	T71266	SEA
Q13976	PRKG1	cGMP-dependent protein kinase 1 beta	T78543	SEA
P43119	PTGIR	Prostanoid IP receptor	T99954	SEA
P00390	GSR	Glutathione reductase	T30803	SEA
P32238	CCKAR	Cholecystokinin A receptor	T28330	SEA
Q9UQM7	CAMK2A	CaM kinase II alpha	T18299	SEA
P24530	EDNRB	Endothelin receptor ET-B	T92828	SEA
P14679	TYR	Tyrosinase	T97035	SEA
P21452	TACR2	Neurokinin 2 receptor	T52790	SEA
P13569	CFTR	Cystic fibrosis transmembrane conductance regulator	T55654	SEA
Q9UIQ6	LNPEP	Cystinyl aminopeptidase	T97537	SEA
Q13237	PRKG2	cGMP-dependent protein kinase 2	T23606	SEA
Q96NT5	SLC46A1	Proton-coupled folate transporter	T19229	SEA
P28065	PSMB9	Proteasome subunit beta type-9	T06792	SEA
P28062	PSMB8	Proteasome subunit beta type-8	T77350	SEA
Q8IU80	TMPRSS6	Transmembrane protease serine 6	T13863	SEA
Q9Y5Y6	ST14	Matriptase	T31543	SEA
Q5VT25	CDC42BPA	Serine or threonine-protein kinase MRCK-A	T00075	SEA
O96013	PAK4	Serine/threonine-protein kinase PAK 4	T98293	SEA
P51511	MMP15	Matrix metalloproteinase 15	T81658	SEA
Q9Y478	PRKAB1	AMP-activated protein kinase, beta-1 subunit	T38875	SEA
P28336	NMBR	Neuromedin B receptor	T68887	SEA
P37840	SNCA	Alpha-synuclein	T03644	SEA
Q96DB2	HDAC11	Histone deacetylase 11	T97903	SEA
P33032	MC5R	Melanocortin receptor 5	T95302	SEA
P28336	NMBR	Neuromedin B receptor	T68887	SEA
P30550	GRPR	Gastrin releasing peptide receptor	T99816	SEA
Q969S8	HDAC10	Histone deacetylase 10	T94324	SEA
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SEA
Q9NZ08	ERAP1	Endoplasmic reticulum aminopeptidase 1	T72849	SEA
O95931	CBX7	Chromobox protein homolog 7	T72319	SEA
Q04756	HGFAC	Hepatocyte growth factor activator	T38584	SEA
Q9NQS5	GPR84	G-protein coupled receptor 84	T98091	SEA
Q9NS75	CYSLTR2	Cysteinyl leukotriene receptor 2	T74238	SEA
O43781	DYRK3	Dual-specificity tyrosine-phosphorylation regulated kinase 3	T97149	SEA
Q13304	GPR17	Uracil nucleotide/cysteinyl leukotriene receptor	T33902	SEA
P24557	TBXAS1	Thromboxane-A synthase	T78356	SEA
Q4U2R8	SLC22A6	Solute carrier family 22 member 6 (by homology)	T70680	SEA
Q9BY41	HDAC8	Histone deacetylase 8	T28887	SEA
Q06609	RAD51	DNA repair protein RAD51 homolog 1	T63083	SEA
Q9UBS0	RPS6KB2	Ribosomal protein S6 kinase beta-2	T42760	SEA
P51843	NR0B1	Orphan nuclear receptor DAX-1	T23191	SEA
O60603	TLR2	Toll-like receptor 2	T82078	SEA
O95622	ADCY5	Adenylate cyclase type 5	T19531	SEA
P47870	GABRB2	GABA(A) receptor beta-2	T80387	SEA
Q9NXA8	SIRT5	NAD-dependent deacetylase sirtuin-5	T91940	SEA
P35270	SPR	Substance-P receptor	T47094	SEA
P24347	MMP11	Matrix metalloproteinase-11	T73180	SEA
P05981	HPN	Serine protease hepsin	T73471	SEA
Q9ULZ9	MMP17	Matrix metalloproteinase-17	T55616	SEA
Q9NPC1	LTB4R2	Leukotriene B4 receptor 2	T30563	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T30082	DI0025	Alzheimer disease	[ICD-11: 8A20]	P22303	ACHE
T30082	DI0166	Glaucoma	[ICD-11: 9C61]	P22303	ACHE
T30082	DI0282	Myasthenia gravis	[ICD-11: 8C6Y]	P22303	ACHE
T30082	DI0313	Oesophageal/gastroduodenal disorder	[ICD-11: DD90]	P22303	ACHE
T30082	DI0332	Pediculosis	[ICD-11: 1G00]	P22303	ACHE
T30082	DI0421	Unspecific substance harmful effect	[ICD-11: NE6Z]	P22303	ACHE
T05090	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O15379	HDAC3
T05090	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O15379	HDAC3
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
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
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
T05409	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08473	MME
T32060	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P28223	HTR2A
T32060	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P28223	HTR2A
T32060	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P28223	HTR2A
T32060	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	P28223	HTR2A
T32060	DI0331	Parkinsonism	[ICD-11: 8A00]	P28223	HTR2A
T32060	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28223	HTR2A
T32060	DI0370	Schizophrenia	[ICD-11: 6A20]	P28223	HTR2A
T83813	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P28335	HTR2C
T83813	DI0264	Migraine	[ICD-11: 8A80]	P28335	HTR2C
T83813	DI0308	Obesity	[ICD-11: 5B80-5B81]	P28335	HTR2C
T83813	DI0324	Pain	[ICD-11: MG30-MG3Z]	P28335	HTR2C
T83813	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28335	HTR2C
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
T07806	DI0264	Migraine	[ICD-11: 8A80]	P28222	HTR1B
T07806	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28222	HTR1B
T07806	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P28222	HTR1B
T07806	DI0370	Schizophrenia	[ICD-11: 6A20]	P28222	HTR1B
T11072	DI0264	Migraine	[ICD-11: 8A80]	P28221	HTR1D
T11072	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28221	HTR1D
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
T84117	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28566	HTR1E
T79062	DI0025	Alzheimer disease	[ICD-11: 8A20]	P34969	HTR7
T79062	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P34969	HTR7
T79062	DI0051	Bipolar disorder	[ICD-11: 6A60]	P34969	HTR7
T79062	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P34969	HTR7
T79062	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P34969	HTR7
T79062	DI0331	Parkinsonism	[ICD-11: 8A00]	P34969	HTR7
T79062	DI0370	Schizophrenia	[ICD-11: 6A20]	P34969	HTR7
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
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
T63816	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P56524	HDAC4
T23471	DI0229	Left ventricular failure	[ICD-11: BD11]	P05164	MPO
T23471	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P05164	MPO
T51191	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q92769	HDAC2
T51191	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q92769	HDAC2
T76369	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P23141	CES1
T76369	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P23141	CES1
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
T25608	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	O14842	FFAR1
T06958	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06746	POLB
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T08856	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P22894	MMP8
T86702	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P08254	MMP3
T86702	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	P08254	MMP3
T86702	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P08254	MMP3
T86702	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P08254	MMP3
T86702	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P08254	MMP3
T86702	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P08254	MMP3
T86702	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P08254	MMP3
T54156	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P14780	MMP9
T54156	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P14780	MMP9
T54156	DI0395	Stomach cancer	[ICD-11: 2B72]	P14780	MMP9
T54156	DI0419	Ulcerative colitis	[ICD-11: DD71]	P14780	MMP9
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
T76198	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P21731	TBXA2R
T76198	DI0121	Diabetic foot ulcer	[ICD-11: BD54]	P21731	TBXA2R
T76198	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P21731	TBXA2R
T76198	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P21731	TBXA2R
T59679	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	Q13639	HTR4
T59679	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q13639	HTR4
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
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
T73475	DI0238	Lung cancer	[ICD-11: 2C25]	P09237	MMP7
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
T72458	DI0192	Hypoactive sexual desire dysfunction	[ICD-11: HA00]	P32245	MC4R
T72458	DI0228	Large intestine motility disorder	[ICD-11: DB32]	P32245	MC4R
T72458	DI0308	Obesity	[ICD-11: 5B80-5B81]	P32245	MC4R
T61746	DI0023	Alopecia	[ICD-11: ED70]	P07858	CTSB
T61746	DI0025	Alzheimer disease	[ICD-11: 8A20]	P07858	CTSB
T61746	DI0037	Asthma	[ICD-11: CA23]	P07858	CTSB
T61746	DI0055	Bone cancer	[ICD-11: 2B5Z]	P07858	CTSB
T61746	DI0060	Brain cancer	[ICD-11: 2A00]	P07858	CTSB
T61746	DI0067	Cardiac arrest	[ICD-11: MC82]	P07858	CTSB
T61746	DI0074	Cerebral ischaemic stroke	[ICD-11: 8B11]	P07858	CTSB
T61746	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P07858	CTSB
T61746	DI0087	Chronic pain	[ICD-11: MG30]	P07858	CTSB
T61746	DI0110	Cystic fibrosis	[ICD-11: CA25]	P07858	CTSB
T61746	DI0124	Digestive system disease	[ICD-11: DE2Z]	P07858	CTSB
T61746	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P07858	CTSB
T61746	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P07858	CTSB
T61746	DI0253	Meningioma	[ICD-11: 2A01]	P07858	CTSB
T61746	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	P07858	CTSB
T61746	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07858	CTSB
T61746	DI0296	Neurodegenerative disorder	[ICD-11: 8A20-8A23]	P07858	CTSB
T61746	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P07858	CTSB
T61746	DI0351	Psoriasis	[ICD-11: EA90]	P07858	CTSB
T61746	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P07858	CTSB
T59604	DI0087	Chronic pain	[ICD-11: MG30]	Q92847	GHSR
T59604	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	Q92847	GHSR
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
T35842	DI0192	Hypoactive sexual desire dysfunction	[ICD-11: HA00]	Q01726	MC1R
T35842	DI0205	Inborn porphyrin/heme metabolism error	[ICD-11: 5C58]	Q01726	MC1R
T76846	DI0308	Obesity	[ICD-11: 5B80-5B81]	P41968	MC3R
T76846	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P41968	MC3R
T76846	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P41968	MC3R
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
T67619	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P31749	AKT1
T15571	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P47898	HTR5A
T97613	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P48039	MTNR1A
T48268	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P49286	MTNR1B
T14834	DI0039	Atopic eczema	[ICD-11: EA80]	P47712	PLA2G4A
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
T64830	DI0108	Cushing syndrome	[ICD-11: 5A70]	P35346	SSTR5
T53024	DI0108	Cushing syndrome	[ICD-11: 5A70]	P30874	SSTR2
T53024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P30874	SSTR2
T53024	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30874	SSTR2
T62974	DI0087	Chronic pain	[ICD-11: MG30]	P31391	SSTR4
T62974	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	P31391	SSTR4
T16633	DI0108	Cushing syndrome	[ICD-11: 5A70]	P30872	SSTR1
T16633	DI0395	Stomach cancer	[ICD-11: 2B72]	P30872	SSTR1
T13644	DI0108	Cushing syndrome	[ICD-11: 5A70]	P32745	SSTR3
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
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
T65019	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P50281	MMP14
T71266	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9Y243	AKT3
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
T30803	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00390	GSR
T28330	DI0210	Influenza	[ICD-11: 1E30-1E32]	P32238	CCKAR
T28330	DI0328	Pancreatic malfunction	[ICD-11: DC30-DC3Z]	P32238	CCKAR
T18299	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9UQM7	CAMK2A
T92828	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P24530	EDNRB
T92828	DI0356	Pulmonary hypertension	[ICD-11: BB01]	P24530	EDNRB
T97035	DI0007	Acquired hypermelanosis	[ICD-11: ED60]	P14679	TYR
T97035	DI0008	Acquired hypomelanotic disorder	[ICD-11: ED63]	P14679	TYR
T52790	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P21452	TACR2
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
T19229	DI0150	Folate deficiency anaemia	[ICD-11: 3A02]	Q96NT5	SLC46A1
T19229	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	Q96NT5	SLC46A1
T19229	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q96NT5	SLC46A1
T77350	DI0274	Multiple myeloma	[ICD-11: 2A83]	P28062	PSMB8
T98293	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O96013	PAK4
T98293	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O96013	PAK4
T38875	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q9Y478	PRKAB1
T68887	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P28336	NMBR
T68887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28336	NMBR
T03644	DI0025	Alzheimer disease	[ICD-11: 8A20]	P37840	SNCA
T03644	DI0044	Autonomic nervous system disorder	[ICD-11: 8D87]	P37840	SNCA
T03644	DI0331	Parkinsonism	[ICD-11: 8A00]	P37840	SNCA
T95302	DI0005	Acne vulgaris	[ICD-11: ED80]	P33032	MC5R
T95302	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P33032	MC5R
T68887	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P28336	NMBR
T68887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28336	NMBR
T99816	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P30550	GRPR
T99816	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P30550	GRPR
T99816	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P30550	GRPR
T94324	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q969S8	HDAC10
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
T98091	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	Q9NQS5	GPR84
T98091	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	Q9NQS5	GPR84
T74238	DI0037	Asthma	[ICD-11: CA23]	Q9NS75	CYSLTR2
T78356	DI0030	Angina pectoris	[ICD-11: BA40]	P24557	TBXAS1
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
T28887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9BY41	HDAC8
T63083	DI0048	B-cell lymphoma	[ICD-11: 2A86]	Q06609	RAD51
T63083	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q06609	RAD51
T42760	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9UBS0	RPS6KB2
T82078	DI0346	Prostate cancer	[ICD-11: 2C82]	O60603	TLR2
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
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T30563	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	Q9NPC1	LTB4R2
T30563	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	Q9NPC1	LTB4R2