Compound details

Erysothiopine

Compound ID	CDAMM01756
Common name	Erysothiopine
IUPAC name	2-[(12-hydroxy-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl)oxysulfonyl]acetic acid
Molecular formula	C₁₉H₂₁NO₇S

Experimental data

Retention time	10.17
Adduct	[M+H]+
Actual mz	408.11
Theoretical mz	408.111
Error	2.15
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.0976

Identifiers and class information

Inchi key	HNDYDGVKLJMGCM-UHFFFAOYNA-N
Smiles	O=C(O)CS(=O)(=O)OC=1C=C2C(=CC1O)C34C(C=CC(OC)C3)=CCN4CC2
Superclass	Alkaloids and derivatives
Class	Erythrina alkaloids

Plant source

Cinnamomum tamala (Buch.-Ham.) T.Nees & C.H.Eberm.

External sources

HMDB ID	HMDB0030257
KNApSAcK ID
FooDB ID	FDB002081
DrugBank ID
ChEBI ID
Pubchem Compound ID	131750988
PlantCyc ID
UNPD ID
Coconut ID	CNP0003579
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	1
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)	6
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	407.437
Computed dipole moment(dipole)	8.97
Total solvent accessible surface area (SASA)	643.041
Hydrophobic component of SASA (FOSA)	293.376
Hydrophilic component of SASA (FISA)	216.21
Pie component of the SASA (PISA)	133.455
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1164.23
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	8.95
Free energy of solvation of dipole (dip^2/V)	0.0691147
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0139182
Globularity descriptor (glob)	0.832313
Predicted polarizability in cubic angstroms (QPpolrz)	37.861
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.724
Predicted octanol/gas partition coefficient (QPlogPoct)	19.885
Predicted water/gas partition coefficient (QPlogPw)	12.602
Predicted octanol/water partition coefficient (QPlogPo/w)	-0.376
Predicted aqueous solubility (QPlogS)	-3.175
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.489
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-3.8
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	5.573
Predicted brain/blood partition coefficient (QPlogBB)	-1.48
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	2.549
Predicted skin permeability, log Kp (QPlogKp)	-6.521
PM3 calculated ionization potential (IP(ev))	9.172
PM3 calculated electron affinity (EA(eV))	1.163
Number of likely metabolic reactions (#metab)	6
Prediction of binding to human serum albumin (QPlogKhsa)	-0.393
Predicted qualitative human oral absorption (HumanOralAbsorption)	2
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	38.097
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)	132.203
Number of nitrogen and oxygen atoms (#NandO)	8
Number of violations of Lipinskiâ€™s rule of five (RuleOfFive)	0
Number of violations of Jorgensenâ€™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
P43681	CHRNA4	Neuronal acetylcholine receptor; alpha4/beta2	T70967	SwissTargetPrediction
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P36544	CHRNA7	Neuronal acetylcholine receptor protein alpha-7 subunit	T34429	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P35228	NOS2	Nitric oxide synthase, inducible	T02703	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P30531	SLC6A1	GABA transporter 1	T62184	SwissTargetPrediction
P12821	ACE	Angiotensin-converting enzyme	T98311	SwissTargetPrediction
P15144	ANPEP	Aminopeptidase N	T67272	SwissTargetPrediction
P09960	LTA4H	Leukotriene A4 hydrolase	T03691	SwissTargetPrediction
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P05067	APP	Beta amyloid A4 protein	T87024	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
Q8IXJ6	SIRT2	NAD-dependent deacetylase sirtuin 2	T83904	SwissTargetPrediction
P08514	ITGA2B	Integrin alpha-IIb/beta-3	T50688	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P13866	SLC5A1	Sodium/glucose cotransporter 1	T54771	SwissTargetPrediction
P78352	DLG4	Disks large homolog 4	T04507	SwissTargetPrediction
P55210	CASP7	Caspase-7	T72252	SwissTargetPrediction
P08473	MME	Neprilysin	T05409	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction
P08588	ADRB1	Beta-1 adrenergic receptor	T44068	SwissTargetPrediction
Q01959	SLC6A3	Dopamine transporter	T55959	SwissTargetPrediction
P07384	CAPN1	Calpain 1	T92517	SwissTargetPrediction
Q9H3R0	KDM4C	Lysine-specific demethylase 4C	T73863	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
Q9H4A4	RNPEP	Aminopeptidase B	T57818	SwissTargetPrediction
O75164	KDM4A	Lysine-specific demethylase 4A	T18904	SwissTargetPrediction
Q96IY4	CPB2	Carboxypeptidase B2 isoform A	T98022	SwissTargetPrediction
P35367	HRH1	Histamine H1 receptor	T77913	SwissTargetPrediction
Q03181	PPARD	Peroxisome proliferator-activated receptor delta	T36557	SwissTargetPrediction
P49137	MAPKAPK2	MAP kinase-activated protein kinase 2	T21307	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
Q13547	HDAC1	Histone deacetylase 1	T68547	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P07550	ADRB2	Adrenergic receptor beta	T52522	SwissTargetPrediction
P23975	SLC6A2	Norepinephrine transporter	T21945	SwissTargetPrediction
P13945	ADRB3	Beta-3 adrenergic receptor	T51408	SwissTargetPrediction
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction
P15086	CPB1	Carboxypeptidase B	T36725	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P48147	PREP	Prolyl endopeptidase	T86161	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P41229	KDM5C	Lysine-specific demethylase 5C	T85540	SwissTargetPrediction
Q9HBH9	MKNK2	MAP kinase signal-integrating kinase 2	T99160	SwissTargetPrediction
P29375	KDM5A	Lysine-specific demethylase 5A	T28052	SwissTargetPrediction
Q12884	FAP	Fibroblast activation protein alpha (by homology)	T53764	SwissTargetPrediction
Q96EB6	SIRT1	NAD-dependent deacetylase sirtuin 1	T14731	SwissTargetPrediction
P06756	ITGAV	Vitronectin receptor alpha	T67103	SwissTargetPrediction
P17301	ITGA2	Integrin alpha-2	T55293	SwissTargetPrediction
Q9UGL1	KDM5B	Lysine-specific demethylase 5B	T56871	SwissTargetPrediction
P05556	ITGB1	Integrin alpha2/beta1	T01851	SwissTargetPrediction
Q9Y2K7	KDM2A	Lysine-specific demethylase 2A	T71949	SwissTargetPrediction
P23109	AMPD1	AMP deaminase 1	T84553	SwissTargetPrediction
P25101	EDNRA	Endothelin receptor ET-A	T23499	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P46098	HTR3A	Serotonin 3a (5-HT3a) receptor	T64591	SwissTargetPrediction
P24557	TBXAS1	Thromboxane-A synthase	T78356	SwissTargetPrediction
O43174	CYP26A1	Cytochrome P450 26A1	T84634	SwissTargetPrediction
P19793	RXRA	Retinoid X receptor alpha (by homology)	T13726	SwissTargetPrediction
P43119	PTGIR	Prostanoid IP receptor	T99954	SwissTargetPrediction
Q9NUW8	TDP1	Tyrosyl-DNA phosphodiesterase 1	T33492	SwissTargetPrediction
P20839	IMPDH1	Inosine-5'-monophosphate dehydrogenase 1	T40111	SwissTargetPrediction
P12268	IMPDH2	Inosine-5'-monophosphate dehydrogenase 2	T89360	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
P68400	CSNK2A1	Casein kinase II alpha	T51565	SwissTargetPrediction
Q9H228	S1PR5	Sphingosine 1-phosphate receptor Edg-8	T50089	SwissTargetPrediction
P21453	S1PR1	Sphingosine 1-phosphate receptor Edg-1	T13852	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
Q86TI2	DPP9	Dipeptidyl peptidase IX	T66252	SwissTargetPrediction
Q96JM7	L3MBTL3	Lethal(3)malignant brain tumor-like protein 3	T33931	SwissTargetPrediction
P19784	CSNK2A2	Casein kinase II alpha (prime)	T80526	SwissTargetPrediction
P48067	SLC6A9	Glycine transporter 1	T69685	SwissTargetPrediction
P41180	CASR	Calcium sensing receptor	T92076	SwissTargetPrediction
P00749	PLAU	Urokinase-type plasminogen activator	T17758	SwissTargetPrediction
P14735	IDE	Insulin-degrading enzyme	T81900	SwissTargetPrediction
Q6ZMT4	KDM7A	Lysine-specific demethylase 7A/7B	T18784	SwissTargetPrediction
P00390	GSR	Glutathione reductase	T30803	SwissTargetPrediction
P51512	MMP16	Matrix metalloproteinase 16	T35824	SEA
P51511	MMP15	Matrix metalloproteinase 15	T81658	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T70967	DI0029	Aneurysm/dissection	[ICD-11: BD50]	P43681	CHRNA4
T70967	DI0191	Hypertensive crisis	[ICD-11: BA03]	P43681	CHRNA4
T70967	DI0196	Hypotension	[ICD-11: BA20-BA21]	P43681	CHRNA4
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
T34429	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P36544	CHRNA7
T34429	DI0370	Schizophrenia	[ICD-11: 6A20]	P36544	CHRNA7
T92072	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P30542	ADORA1
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
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
T62184	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P30531	SLC6A1
T62184	DI0274	Multiple myeloma	[ICD-11: 2A83]	P30531	SLC6A1
T98311	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P12821	ACE
T98311	DI0190	Hypertension	[ICD-11: BA00-BA04]	P12821	ACE
T67272	DI0351	Psoriasis	[ICD-11: EA90]	P15144	ANPEP
T03691	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P09960	LTA4H
T13201	DI0166	Glaucoma	[ICD-11: 9C61]	P00915	CA1
T13201	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00915	CA1
T87024	DI0025	Alzheimer disease	[ICD-11: 8A20]	P05067	APP
T87024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P05067	APP
T20401	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P00918	CA2
T20401	DI0137	Essential hypertension	[ICD-11: BA00]	P00918	CA2
T20401	DI0166	Glaucoma	[ICD-11: 9C61]	P00918	CA2
T20401	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P00918	CA2
T20401	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P00918	CA2
T20401	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00918	CA2
T83904	DI0365	Retinopathy	[ICD-11: 9B71]	Q8IXJ6	SIRT2
T50688	DI0007	Acquired hypermelanosis	[ICD-11: ED60]	P08514	ITGA2B
T50688	DI0030	Angina pectoris	[ICD-11: BA40]	P08514	ITGA2B
T50688	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P08514	ITGA2B
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T54771	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P13866	SLC5A1
T54771	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P13866	SLC5A1
T54771	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P13866	SLC5A1
T04507	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P78352	DLG4
T04507	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P78352	DLG4
T72252	DI0110	Cystic fibrosis	[ICD-11: CA25]	P55210	CASP7
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
T44068	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P08588	ADRB1
T44068	DI0037	Asthma	[ICD-11: CA23]	P08588	ADRB1
T44068	DI0068	Cardiac arrhythmia	[ICD-11: BC9Z]	P08588	ADRB1
T44068	DI0071	Central and peripheral nervous disease	[ICD-11: 8A04-8E7Z]	P08588	ADRB1
T44068	DI0088	Circulatory system disease	[ICD-11: BE2Z]	P08588	ADRB1
T44068	DI0097	Conduction disorder	[ICD-11: BC63]	P08588	ADRB1
T44068	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P08588	ADRB1
T44068	DI0137	Essential hypertension	[ICD-11: BA00]	P08588	ADRB1
T44068	DI0166	Glaucoma	[ICD-11: 9C61]	P08588	ADRB1
T44068	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08588	ADRB1
T44068	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08588	ADRB1
T44068	DI0264	Migraine	[ICD-11: 8A80]	P08588	ADRB1
T44068	DI0375	Sepsis	[ICD-11: 1G40-1G41]	P08588	ADRB1
T44068	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P08588	ADRB1
T44068	DI0434	Ventricular tachyarrhythmia	[ICD-11: BC71]	P08588	ADRB1
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
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
T98022	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	Q96IY4	CPB2
T98022	DI0074	Cerebral ischaemic stroke	[ICD-11: 8B11]	Q96IY4	CPB2
T98022	DI0405	Thrombosis	[ICD-11: DB61-GB90]	Q96IY4	CPB2
T77913	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P35367	HRH1
T77913	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P35367	HRH1
T77913	DI0063	Breathing abnormality	[ICD-11: MD11]	P35367	HRH1
T77913	DI0099	Conjunctiva disorder	[ICD-11: 9A60]	P35367	HRH1
T77913	DI0105	Cough	[ICD-11: MD12]	P35367	HRH1
T77913	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35367	HRH1
T77913	DI0136	Episodic vestibular syndrome	[ICD-11: AB31]	P35367	HRH1
T77913	DI0173	Headache	[ICD-11: 8A80-8A84]	P35367	HRH1
T77913	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P35367	HRH1
T77913	DI0272	Morning sickness disorder	[ICD-11: SC00]	P35367	HRH1
T77913	DI0292	Nasopharyngitis	[ICD-11: CA00]	P35367	HRH1
T77913	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35367	HRH1
T77913	DI0331	Parkinsonism	[ICD-11: 8A00]	P35367	HRH1
T77913	DI0349	Pruritus	[ICD-11: EC90]	P35367	HRH1
T77913	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35367	HRH1
T77913	DI0388	Sleep-wake disorder	[ICD-11: 7A00-7B2Z]	P35367	HRH1
T77913	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P35367	HRH1
T36557	DI0302	Non-alcoholic fatty liver disease	[ICD-11: DB92]	Q03181	PPARD
T36557	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q03181	PPARD
T21307	DI0011	Acute laryngitis/tracheitis	[ICD-11: CA05]	P49137	MAPKAPK2
T21307	DI0181	Hidradenitis suppurativa	[ICD-11: ED92]	P49137	MAPKAPK2
T21307	DI0269	Monogenic autoinflammatory syndrome	[ICD-11: 4A60]	P49137	MAPKAPK2
T21307	DI0334	Peritoneal cancer	[ICD-11: 2C51]	P49137	MAPKAPK2
T21307	DI0352	Psoriatic arthritis	[ICD-11: FA21]	P49137	MAPKAPK2
T21307	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P49137	MAPKAPK2
T21307	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P49137	MAPKAPK2
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T68547	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q13547	HDAC1
T68547	DI0283	Mycosis fungoides	[ICD-11: 2B01]	Q13547	HDAC1
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
T52522	DI0037	Asthma	[ICD-11: CA23]	P07550	ADRB2
T52522	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P07550	ADRB2
T52522	DI0097	Conduction disorder	[ICD-11: BC63]	P07550	ADRB2
T52522	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P07550	ADRB2
T52522	DI0387	Sleep-related breathing disorder	[ICD-11: 7A4Z]	P07550	ADRB2
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
T51408	DI0030	Angina pectoris	[ICD-11: BA40]	P13945	ADRB3
T51408	DI0037	Asthma	[ICD-11: CA23]	P13945	ADRB3
T51408	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P13945	ADRB3
T51408	DI0129	Dystonic disorder	[ICD-11: 8A02]	P13945	ADRB3
T51408	DI0154	Functional bladder disorder	[ICD-11: GC50]	P13945	ADRB3
T51408	DI0190	Hypertension	[ICD-11: BA00-BA04]	P13945	ADRB3
T51408	DI0331	Parkinsonism	[ICD-11: 8A00]	P13945	ADRB3
T01777	DI0166	Glaucoma	[ICD-11: 9C61]	P18825	ADRA2C
T01777	DI0190	Hypertension	[ICD-11: BA00-BA04]	P18825	ADRA2C
T01777	DI0196	Hypotension	[ICD-11: BA20-BA21]	P18825	ADRA2C
T01777	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18825	ADRA2C
T01777	DI0310	Ocular disease	[ICD-11: N.A.]	P18825	ADRA2C
T01777	DI0396	Substance abuse	[ICD-11: 6C40]	P18825	ADRA2C
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T07279	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9P1W9	PIM2
T07279	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9P1W9	PIM2
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
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
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
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
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T99160	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9HBH9	MKNK2
T99160	DI0095	Colorectal cancer	[ICD-11: 2B91]	Q9HBH9	MKNK2
T99160	DI0235	Liver cancer	[ICD-11: 2C12]	Q9HBH9	MKNK2
T99160	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q9HBH9	MKNK2
T99160	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9HBH9	MKNK2
T53764	DI0300	Neutropenia	[ICD-11: 4B00]	Q12884	FAP
T14731	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q96EB6	SIRT1
T14731	DI0399	Systemic sclerosis	[ICD-11: 4A42]	Q96EB6	SIRT1
T14731	DI0431	Vasculitis	[ICD-11: 4A44]	Q96EB6	SIRT1
T67103	DI0095	Colorectal cancer	[ICD-11: 2B91]	P06756	ITGAV
T67103	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06756	ITGAV
T55293	DI0095	Colorectal cancer	[ICD-11: 2B91]	P17301	ITGA2
T55293	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P17301	ITGA2
T01851	DI0060	Brain cancer	[ICD-11: 2A00]	P05556	ITGB1
T01851	DI0238	Lung cancer	[ICD-11: 2C25]	P05556	ITGB1
T01851	DI0365	Retinopathy	[ICD-11: 9B71]	P05556	ITGB1
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
T64591	DI0087	Chronic pain	[ICD-11: MG30]	P46098	HTR3A
T64591	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P46098	HTR3A
T64591	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P46098	HTR3A
T64591	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P46098	HTR3A
T64591	DI0293	Nausea/vomiting	[ICD-11: MD90]	P46098	HTR3A
T78356	DI0030	Angina pectoris	[ICD-11: BA40]	P24557	TBXAS1
T84634	DI0314	Oesophagitis	[ICD-11: DA24]	O43174	CYP26A1
T13726	DI0225	Kaposi sarcoma	[ICD-11: 2B57]	P19793	RXRA
T13726	DI0283	Mycosis fungoides	[ICD-11: 2B01]	P19793	RXRA
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
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
T40694	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P53350	PLK1
T40694	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P53350	PLK1
T40694	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P53350	PLK1
T51565	DI0104	Coronavirus infection	[ICD-11: 1D92]	P68400	CSNK2A1
T51565	DI0235	Liver cancer	[ICD-11: 2C12]	P68400	CSNK2A1
T51565	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P68400	CSNK2A1
T50089	DI0275	Multiple sclerosis	[ICD-11: 8A40]	Q9H228	S1PR5
T13852	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P21453	S1PR1
T13852	DI0419	Ulcerative colitis	[ICD-11: DD71]	P21453	S1PR1
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T66252	DI0300	Neutropenia	[ICD-11: 4B00]	Q86TI2	DPP9
T69685	DI0370	Schizophrenia	[ICD-11: 6A20]	P48067	SLC6A9
T92076	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P41180	CASR
T17758	DI0211	Inherited coagulation factor deficiency	[ICD-11: 3B14]	P00749	PLAU
T17758	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00749	PLAU
T81900	DI0383	Skin and skin-structure infection	[ICD-11: 1F28-1G0Z]	P14735	IDE
T30803	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00390	GSR