Compound details

Isoreserpiline

Compound ID	CDAMM00421
Common name	Isoreserpiline
IUPAC name	methyl (1S,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular formula	C₂₃H₂₈N₂O₅

Experimental data

Retention time	36.707
Adduct	[M+H]+
Actual mz	413.21
Theoretical mz	413.207
Error	6.53
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	5.53

Identifiers and class information

Inchi key	FGWJRZQNNZVCHR-FDIRSQCANA-N
Smiles	C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC
Superclass	Alkaloids and derivatives
Class	Yohimbine alkaloids

Plant source

Baliospermum solanifolium (Burm.) Suresh

External sources

HMDB ID
KNApSAcK ID	C00025183
FooDB ID
DrugBank ID
ChEBI ID	CHEBI:135667
Pubchem Compound ID	161345
PlantCyc ID
UNPD ID	UNPD32152
Coconut ID
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)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	3
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	1
Molecular weight (mol_MW)	412.485
Computed dipole moment(dipole)	3.195
Total solvent accessible surface area (SASA)	700.865
Hydrophobic component of SASA (FOSA)	527.407
Hydrophilic component of SASA (FISA)	67.361
Pie component of the SASA (PISA)	106.097
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1276.12
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	7.2
Free energy of solvation of dipole (dip^2/V)	0.0079989
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.010273
Globularity descriptor (glob)	0.811817
Predicted polarizability in cubic angstroms (QPpolrz)	44.003
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.539
Predicted octanol/gas partition coefficient (QPlogPoct)	19.525
Predicted water/gas partition coefficient (QPlogPw)	10.481
Predicted octanol/water partition coefficient (QPlogPo/w)	3.401
Predicted aqueous solubility (QPlogS)	-4.646
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.408
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.809
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	567.559
Predicted brain/blood partition coefficient (QPlogBB)	0.1
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	296.719
Predicted skin permeability, log Kp (QPlogKp)	-4.162
PM3 calculated ionization potential (IP(ev))	8.086
PM3 calculated electron affinity (EA(eV))	0.023
Number of likely metabolic reactions (#metab)	5
Prediction of binding to human serum albumin (QPlogKhsa)	0.53
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	96.15
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)	75.133
Number of nitrogen and oxygen atoms (#NandO)	7
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
O43570	CA12	Carbonic anhydrase XII	T16987	SwissTargetPrediction
P29475	NOS1	Nitric-oxide synthase, brain	T16117	SwissTargetPrediction
P29474	NOS3	Nitric-oxide synthase, endothelial	T06046	SwissTargetPrediction
P04818	TYMS	Thymidylate synthase (by homology)	T98397	SwissTargetPrediction
Q8TDS4	HCAR2	Hydroxycarboxylic acid receptor 2	T88185	SwissTargetPrediction
P09960	LTA4H	Leukotriene A4 hydrolase	T03691	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
Q9NTG7	SIRT3	NAD-dependent deacetylase sirtuin 3	T91959	SwissTargetPrediction
Q8IXJ6	SIRT2	NAD-dependent deacetylase sirtuin 2	T83904	SwissTargetPrediction
P34913	EPHX2	Epoxide hydratase	T35734	SwissTargetPrediction
P43166	CA7	Carbonic anhydrase VII	T37541	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction
Q96RJ0	TAAR1	Trace amine-associated receptor 1 (by homology)	T99524	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
Q05940	SLC18A2	Synaptic vesicular amine transporter (by homology)	T48873	SEA
P41595	HTR2B	Serotonin 2b (5-HT2b) receptor	T31204	SwissTargetPrediction
P08913	ADRA2A	Alpha-2a adrenergic receptor	T11448	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P07384	CAPN1	Calpain 1	T92517	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
Q9H3N8	HRH4	Histamine H4 receptor	T26500	SwissTargetPrediction
P13726	F3	Coagulation factor VII/tissue factor	T72702	SEA
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SEA
P21918	DRD5	Dopamine D5 receptor	T46828	SEA
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction and SEA
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P06213	INSR	Insulin receptor	T85435	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P30559	OXTR	Oxytocin receptor (by homology)	T84486	SwissTargetPrediction
P34981	TRHR	Thyrotropin-releasing hormone receptor	T77796	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P23946	CMA1	Chymase	T05114	SwissTargetPrediction
P48147	PREP	Prolyl endopeptidase	T86161	SwissTargetPrediction
Q08499	PDE4D	Phosphodiesterase 4D	T02001	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
P11388	TOP2A	DNA topoisomerase II alpha	T17048	SwissTargetPrediction
P35348	ADRA1A	Alpha-1a adrenergic receptor	T92609	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
Q05397	PTK2	Focal adhesion kinase 1	T15068	SwissTargetPrediction
Q5S007	LRRK2	Leucine-rich repeat serine/threonine-protein kinase 2	T08123	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
P17948	FLT1	Vascular endothelial growth factor receptor 1	T63966	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
Q9HBH9	MKNK2	MAP kinase signal-integrating kinase 2	T99160	SwissTargetPrediction
P35626	GRK3	Beta-adrenergic receptor kinase 2	T57174	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P25098	GRK2	G-protein coupled receptor kinase 2	T62548	SwissTargetPrediction
P34947	GRK5	G protein-coupled receptor kinase 5	T69612	SwissTargetPrediction
Q13627	DYRK1A	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	T92803	SwissTargetPrediction
P24385	CCND1	Cyclin-dependent kinase 4/cyclin D1	T12355	SwissTargetPrediction
P40763	STAT3	Signal transducer and activator of transcription 3	T29130	SwissTargetPrediction
Q12884	FAP	Fibroblast activation protein alpha (by homology)	T53764	SwissTargetPrediction
Q9Y463	DYRK1B	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	T82720	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P18089	ADRA2B	Alpha-2b adrenergic receptor	T41580	SwissTargetPrediction and SEA
O00311	CDC7	CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)	T81358	SwissTargetPrediction
P62136	PPP1CA	Serine/threonine protein phosphatase PP1-alpha catalytic subunit	T59845	SwissTargetPrediction
P09619	PDGFRB	Platelet-derived growth factor receptor beta	T59102	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P50750	CDK9	Cyclin-dependent kinase 9	T44458	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
P48067	SLC6A9	Glycine transporter 1	T69685	SwissTargetPrediction
O60760	HPGDS	Hematopoietic prostaglandin D synthase	T19433	SwissTargetPrediction
P51812	RPS6KA3	Ribosomal protein S6 kinase alpha 3	T03279	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
O00408	PDE2A	Phosphodiesterase 2A	T77400	SwissTargetPrediction
P48730	CSNK1D	Casein kinase I delta	T87109	SwissTargetPrediction
P20248	CCNA2	CDK2/Cyclin A	T58470	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
Q9BUB5	MKNK1	MAP kinase-interacting serine/threonine-protein kinase MNK1	T97136	SwissTargetPrediction
Q14123	PDE1C	Phosphodiesterase 1C	T92439	SwissTargetPrediction
Q9Y6F1	PARP3	Poly [ADP-ribose] polymerase 3	T17228	SwissTargetPrediction
Q9NYY3	PLK2	Serine/threonine-protein kinase PLK2	T59654	SwissTargetPrediction
P30837	ALDH1B1	Acetaldehyde dehydrogenase	T99641	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T16987	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O43570	CA12
T16987	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	O43570	CA12
T16117	DI0173	Headache	[ICD-11: 8A80-8A84]	P29475	NOS1
T16117	DI0264	Migraine	[ICD-11: 8A80]	P29475	NOS1
T06046	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P29474	NOS3
T98397	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04818	TYMS
T98397	DI0395	Stomach cancer	[ICD-11: 2B72]	P04818	TYMS
T88185	DI0203	Inborn lipid metabolism error	[ICD-11: 5C52]	Q8TDS4	HCAR2
T03691	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P09960	LTA4H
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T13201	DI0166	Glaucoma	[ICD-11: 9C61]	P00915	CA1
T13201	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00915	CA1
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
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
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
T83904	DI0365	Retinopathy	[ICD-11: 9B71]	Q8IXJ6	SIRT2
T35734	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P34913	EPHX2
T35734	DI0190	Hypertension	[ICD-11: BA00-BA04]	P34913	EPHX2
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
T99524	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	Q96RJ0	TAAR1
T99524	DI0149	Focal/segmental autonomic disorder	[ICD-11: 8D8A]	Q96RJ0	TAAR1
T99524	DI0290	Narcolepsy	[ICD-11: 7A20]	Q96RJ0	TAAR1
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T48873	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q05940	SLC18A2
T48873	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	Q05940	SLC18A2
T48873	DI0129	Dystonic disorder	[ICD-11: 8A02]	Q05940	SLC18A2
T48873	DI0137	Essential hypertension	[ICD-11: BA00]	Q05940	SLC18A2
T48873	DI0190	Hypertension	[ICD-11: BA00-BA04]	Q05940	SLC18A2
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
T11448	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P08913	ADRA2A
T11448	DI0317	Opioid use disorder	[ICD-11: 6C43]	P08913	ADRA2A
T11448	DI0396	Substance abuse	[ICD-11: 6C40]	P08913	ADRA2A
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
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
T26500	DI0037	Asthma	[ICD-11: CA23]	Q9H3N8	HRH4
T26500	DI0039	Atopic eczema	[ICD-11: EA80]	Q9H3N8	HRH4
T26500	DI0351	Psoriasis	[ICD-11: EA90]	Q9H3N8	HRH4
T26500	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9H3N8	HRH4
T26500	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q9H3N8	HRH4
T72702	DI0075	Cervical cancer	[ICD-11: 2C77]	P13726	F3
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
T46828	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21918	DRD5
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
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
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
T53381	DI0166	Glaucoma	[ICD-11: 9C61]	P25100	ADRA1D
T53381	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P25100	ADRA1D
T53381	DI0190	Hypertension	[ICD-11: BA00-BA04]	P25100	ADRA1D
T53381	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P25100	ADRA1D
T53381	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P25100	ADRA1D
T53381	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25100	ADRA1D
T29500	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P35368	ADRA1B
T29500	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35368	ADRA1B
T29500	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P35368	ADRA1B
T29500	DI0308	Obesity	[ICD-11: 5B80-5B81]	P35368	ADRA1B
T29500	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35368	ADRA1B
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
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
T85435	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P06213	INSR
T85435	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P06213	INSR
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
T74312	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P36888	FLT3
T74312	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P36888	FLT3
T74312	DI0095	Colorectal cancer	[ICD-11: 2B91]	P36888	FLT3
T74312	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P36888	FLT3
T74312	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P36888	FLT3
T74312	DI0248	Mastocytosis	[ICD-11: 2A21]	P36888	FLT3
T74312	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P36888	FLT3
T74312	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P36888	FLT3
T84133	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q9Y233	PDE10A
T84133	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	Q9Y233	PDE10A
T84133	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9Y233	PDE10A
T84133	DI0370	Schizophrenia	[ICD-11: 6A20]	Q9Y233	PDE10A
T84133	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9Y233	PDE10A
T84486	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P30559	OXTR
T84486	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P30559	OXTR
T84486	DI0340	Postpartum haemorrhage	[ICD-11: JA43]	P30559	OXTR
T77796	DI0072	Central nervous system disease	[ICD-11: 8A04-8D87]	P34981	TRHR
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
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
T05114	DI0039	Atopic eczema	[ICD-11: EA80]	P23946	CMA1
T05114	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P23946	CMA1
T05114	DI0169	Gram-positive bacterial infection	[ICD-11: 1B74-1F40]	P23946	CMA1
T05114	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P23946	CMA1
T05114	DI0229	Left ventricular failure	[ICD-11: BD11]	P23946	CMA1
T05114	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P23946	CMA1
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
T02001	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q08499	PDE4D
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
T92609	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35348	ADRA1A
T92609	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P35348	ADRA1A
T62460	DI0039	Atopic eczema	[ICD-11: EA80]	P23458	JAK1
T62460	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P23458	JAK1
T62460	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P23458	JAK1
T62460	DI0404	Thrombocytosis	[ICD-11: 3B63]	P23458	JAK1
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T15068	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q05397	PTK2
T15068	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q05397	PTK2
T15068	DI0326	Pancreatic cancer	[ICD-11: 2C10]	Q05397	PTK2
T15068	DI0334	Peritoneal cancer	[ICD-11: 2C51]	Q05397	PTK2
T15068	DI0356	Pulmonary hypertension	[ICD-11: BB01]	Q05397	PTK2
T15068	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q05397	PTK2
T08123	DI0331	Parkinsonism	[ICD-11: 8A00]	Q5S007	LRRK2
T40474	DI0238	Lung cancer	[ICD-11: 2C25]	P08581	MET
T40474	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P08581	MET
T40474	DI0407	Thyroid cancer	[ICD-11: 2D10]	P08581	MET
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
T63966	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P17948	FLT1
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
T85943	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P12931	SRC
T85943	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P12931	SRC
T85943	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P12931	SRC
T85943	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P12931	SRC
T92803	DI0113	Cytomegaloviral disease	[ICD-11: 1D82]	Q13627	DYRK1A
T12355	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P24385	CCND1
T29130	DI0351	Psoriasis	[ICD-11: EA90]	P40763	STAT3
T53764	DI0300	Neutropenia	[ICD-11: 4B00]	Q12884	FAP
T23172	DI0023	Alopecia	[ICD-11: ED70]	P52333	JAK3
T23172	DI0039	Atopic eczema	[ICD-11: EA80]	P52333	JAK3
T23172	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P52333	JAK3
T23172	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P52333	JAK3
T41580	DI0396	Substance abuse	[ICD-11: 6C40]	P18089	ADRA2B
T81358	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00311	CDC7
T81358	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O00311	CDC7
T59845	DI0268	Molluscum contagiosum	[ICD-11: 1E76]	P62136	PPP1CA
T59102	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P09619	PDGFRB
T59102	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P09619	PDGFRB
T59102	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09619	PDGFRB
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T07173	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04629	NTRK1
T07173	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04629	NTRK1
T44458	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P50750	CDK9
T44458	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P50750	CDK9
T44458	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P50750	CDK9
T44458	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P50750	CDK9
T44458	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P50750	CDK9
T44458	DI0302	Non-alcoholic fatty liver disease	[ICD-11: DB92]	P50750	CDK9
T44458	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P50750	CDK9
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
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
T69685	DI0370	Schizophrenia	[ICD-11: 6A20]	P48067	SLC6A9
T19433	DI0148	Flatworm infection	[ICD-11: 1F70-1F86]	O60760	HPGDS
T03279	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P51812	RPS6KA3
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
T77400	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	O00408	PDE2A
T77400	DI0207	Indeterminate colitis	[ICD-11: DD72]	O00408	PDE2A
T77400	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	O00408	PDE2A
T77400	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	O00408	PDE2A
T87109	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P48730	CSNK1D
T87109	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P48730	CSNK1D
T58470	DI0363	Retina cancer	[ICD-11: 2D02]	P20248	CCNA2
T17852	DI0025	Alzheimer disease	[ICD-11: 8A20]	O76083	PDE9A
T17852	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	O76083	PDE9A
T17852	DI0165	Genitourinary disease	[ICD-11: GA0Z-GC8Z]	O76083	PDE9A
T17852	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	O76083	PDE9A
T17852	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	O76083	PDE9A
T17852	DI0331	Parkinsonism	[ICD-11: 8A00]	O76083	PDE9A
T17852	DI0370	Schizophrenia	[ICD-11: 6A20]	O76083	PDE9A
T17852	DI0381	Sickle-cell disorder	[ICD-11: 3A51]	O76083	PDE9A
T97136	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q9BUB5	MKNK1
T97136	DI0095	Colorectal cancer	[ICD-11: 2B91]	Q9BUB5	MKNK1
T97136	DI0235	Liver cancer	[ICD-11: 2C12]	Q9BUB5	MKNK1
T97136	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q9BUB5	MKNK1
T97136	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9BUB5	MKNK1
T59654	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9NYY3	PLK2
T99641	DI0396	Substance abuse	[ICD-11: 6C40]	P30837	ALDH1B1