Compound details

Methyl (9Z)-8\'-oxo-6,8\'-diapo-6-carotenoate

Compound ID	CDAMM00764
Common name	Methyl (9Z)-8\'-oxo-6,8\'-diapo-6-carotenoate
IUPAC name	methyl 4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate
Molecular formula	C₂₃H₂₈O₃

Experimental data

Retention time	13.47
Adduct	[M+H]+
Actual mz	353.207
Theoretical mz	353.211
Error	13.24
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.525

Identifiers and class information

Inchi key	JMFNGSBVJBPGQR-IWRWKHRWSA-N
Smiles	O=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)OC)C)C)C)C
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids

Plant source

Piper retrofractum Vahl

Curcuma oligantha Trimen

External sources

HMDB ID	HMDB0031979
KNApSAcK ID	C00023149
FooDB ID	FDB008672
DrugBank ID
ChEBI ID
Pubchem Compound ID	85379013
PlantCyc ID
UNPD ID	UNPD159508
Coconut ID	CNP0290143
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	4
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)	17
Number of reactive functional groups (#rtvFG)	2
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	352.472
Computed dipole moment(dipole)	4.03
Total solvent accessible surface area (SASA)	822.668
Hydrophobic component of SASA (FOSA)	521.704
Hydrophilic component of SASA (FISA)	141.694
Pie component of the SASA (PISA)	159.27
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1396.8
Number of hydrogen bond donors (donorHB)	0
Number of hydrogen bond acceptors (accptHB)	4
Free energy of solvation of dipole (dip^2/V)	0.0116265
Index of cohesive interaction in solids (ACxDN^.5/SA)	0
Globularity descriptor (glob)	0.734563
Predicted polarizability in cubic angstroms (QPpolrz)	40.351
Predicted hexadecane/gas partition coefficient (QPlogPC16)	13.754
Predicted octanol/gas partition coefficient (QPlogPoct)	14.756
Predicted water/gas partition coefficient (QPlogPw)	3.936
Predicted octanol/water partition coefficient (QPlogPo/w)	5.666
Predicted aqueous solubility (QPlogS)	-6.945
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.703
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-6.587
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	448.971
Predicted brain/blood partition coefficient (QPlogBB)	-2.212
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	208.18
Predicted skin permeability, log Kp (QPlogKp)	-1.938
PM3 calculated ionization potential (IP(ev))	8.292
PM3 calculated electron affinity (EA(eV))	1.489
Number of likely metabolic reactions (#metab)	4
Prediction of binding to human serum albumin (QPlogKhsa)	0.881
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	94.63
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)	74.138
Number of nitrogen and oxygen atoms (#NandO)	3
Number of violations of Lipinski’s rule of five (RuleOfFive)	1
Number of violations of Jorgensen’s rule of three (RuleOfThree)	1

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
Q12809	KCNH2	HERG	T20251	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
P41594	GRM5	Metabotropic glutamate receptor 5	T99347	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P42338	PIK3CB	PI3-kinase p110-beta subunit	T05031	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P14416	DRD2	Dopamine D2 receptor	T67162	SwissTargetPrediction
P13866	SLC5A1	Sodium/glucose cotransporter 1	T54771	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
P34913	EPHX2	Epoxide hydratase	T35734	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction
P28335	HTR2C	Serotonin 2c (5-HT2c) receptor	T83813	SwissTargetPrediction
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
P34969	HTR7	Serotonin 7 (5-HT7) receptor	T79062	SwissTargetPrediction
P29275	ADORA2B	Adenosine A2b receptor	T86679	SwissTargetPrediction
P43235	CTSK	Cathepsin K	T11388	SwissTargetPrediction
P21980	TGM2	Protein-glutamine gamma-glutamyltransferase	T05387	SwissTargetPrediction
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P51681	CCR5	C-C chemokine receptor type 5	T09960	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P21731	TBXA2R	Thromboxane A2 receptor	T76198	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
P55072	VCP	Transitional endoplasmic reticulum ATPase	T12646	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P25105	PTAFR	Platelet activating factor receptor	T87023	SwissTargetPrediction
P30559	OXTR	Oxytocin receptor (by homology)	T84486	SwissTargetPrediction
P37288	AVPR1A	Vasopressin V1a receptor (by homology)	T79232	SwissTargetPrediction
P30518	AVPR2	Vasopressin V2 receptor (by homology)	T66237	SwissTargetPrediction
P32245	MC4R	Melanocortin receptor 4	T72458	SwissTargetPrediction
Q92847	GHSR	Ghrelin receptor	T59604	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
O00767	SCD	Acyl-CoA desaturase	T10897	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SwissTargetPrediction
P35348	ADRA1A	Alpha-1a adrenergic receptor	T92609	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
O15111	CHUK	Inhibitor of NF-kappa-B kinase (IKK)	T78429	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
P34972	CNR2	Cannabinoid receptor 2	T37693	SwissTargetPrediction
P34995	PTGER1	Prostanoid EP1 receptor	T15497	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
O00763	ACACB	Acetyl-CoA carboxylase 2	T08922	SwissTargetPrediction
P32745	SSTR3	Somatostatin receptor 3	T13644	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
Q13093	PLA2G7	LDL-associated phospholipase A2	T69912	SwissTargetPrediction
P12268	IMPDH2	Inosine-5'-monophosphate dehydrogenase 2	T89360	SwissTargetPrediction
P21453	S1PR1	Sphingosine 1-phosphate receptor Edg-1	T13852	SwissTargetPrediction
P30968	GNRHR	Gonadotropin-releasing hormone receptor	T12475	SwissTargetPrediction
P32238	CCKAR	Cholecystokinin A receptor	T28330	SwissTargetPrediction
Q08881	ITK	Tyrosine-protein kinase ITK/TSK	T77537	SwissTargetPrediction
Q16602	CALCRL	Calcitonin gene-related peptide type 1 receptor	T02226	SwissTargetPrediction
P27815	PDE4A	Phosphodiesterase 4A	T61744	SwissTargetPrediction
Q16581	C3AR1	C3a anaphylatoxin chemotactic receptor	T30219	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P30536	TSPO	Translocator protein (by homology)	T75440	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
P50053	KHK	Ketohexokinase	T79326	SwissTargetPrediction
P43490	NAMPT	Nicotinamide phosphoribosyltransferase	T54582	SwissTargetPrediction
O15151	MDM4	Protein Mdm4	T36741	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
P22001	KCNA3	Voltage-gated potassium channel subunit Kv1.3	T76914	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
P36507	MAP2K2	Dual specificity mitogen-activated protein kinase kinase 2	T89055	SwissTargetPrediction
Q9UBF8	PI4KB	PI4-kinase beta subunit	T12541	SwissTargetPrediction
Q15910	EZH2	EZH2/SUZ12/EED/RBBP7/RBBP4	T25265	SwissTargetPrediction
P49146	NPY2R	Neuropeptide Y receptor type 2	T10670	SwissTargetPrediction
Q99500	S1PR3	Sphingosine 1-phosphate receptor Edg-3	T11241	SwissTargetPrediction
P33316	DUT	dUTP pyrophosphatase	T39054	SwissTargetPrediction
Q10469	MGAT2	Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	T67812	SwissTargetPrediction
Q96PD7	DGAT2	Diacylglycerol O-acyltransferase 2	T95558	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
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
T20251	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q12809	KCNH2
T92072	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P30542	ADORA1
T99347	DI0152	Fragile X chromosome	[ICD-11: LD55]	P41594	GRM5
T99347	DI0331	Parkinsonism	[ICD-11: 8A00]	P41594	GRM5
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T05031	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42338	PIK3CB
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
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
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
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
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
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
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
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
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
T86679	DI0180	Herpes simplex infection	[ICD-11: 1F00]	P29275	ADORA2B
T86679	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P29275	ADORA2B
T11388	DI0237	Low bone mass disorder	[ICD-11: FB83]	P43235	CTSK
T05387	DI0092	Coeliac disease	[ICD-11: DA95]	P21980	TGM2
T05387	DI0302	Non-alcoholic fatty liver disease	[ICD-11: DB92]	P21980	TGM2
T09572	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q99705	MCHR1
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
T80975	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P35968	KDR
T80975	DI0095	Colorectal cancer	[ICD-11: 2B91]	P35968	KDR
T80975	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P35968	KDR
T80975	DI0244	Malignant digestive organ neoplasm	[ICD-11: 2C11]	P35968	KDR
T80975	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P35968	KDR
T80975	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35968	KDR
T80975	DI0395	Stomach cancer	[ICD-11: 2B72]	P35968	KDR
T80975	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P35968	KDR
T80975	DI0407	Thyroid cancer	[ICD-11: 2D10]	P35968	KDR
T11754	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	O00519	FAAH
T83193	DI0163	General pain disorder	[ICD-11: 8E43]	Q8NER1	TRPV1
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
T09960	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P51681	CCR5
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
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
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
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
T60693	DI0304	Non-specific cutaneous vascular symptom	[ICD-11: ME64]	P41145	OPRK1
T60693	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41145	OPRK1
T60693	DI0349	Pruritus	[ICD-11: EC90]	P41145	OPRK1
T75243	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P42345	MTOR
T75243	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	P42345	MTOR
T75243	DI0274	Multiple myeloma	[ICD-11: 2A83]	P42345	MTOR
T75243	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P42345	MTOR
T75243	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P42345	MTOR
T75243	DI0413	Transplant rejection	[ICD-11: NE84]	P42345	MTOR
T12646	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P55072	VCP
T12646	DI0274	Multiple myeloma	[ICD-11: 2A83]	P55072	VCP
T12646	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P55072	VCP
T12646	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P55072	VCP
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
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
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
T87023	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P25105	PTAFR
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
T79232	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37288	AVPR1A
T79232	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P37288	AVPR1A
T79232	DI0190	Hypertension	[ICD-11: BA00-BA04]	P37288	AVPR1A
T79232	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P37288	AVPR1A
T79232	DI0236	Localisation	[ICD-11: N.A.]	P37288	AVPR1A
T66237	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P30518	AVPR2
T66237	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P30518	AVPR2
T66237	DI0131	Enuresis	[ICD-11: 6C00]	P30518	AVPR2
T66237	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P30518	AVPR2
T66237	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30518	AVPR2
T66237	DI0338	Polyuria	[ICD-11: MF55]	P30518	AVPR2
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
T59604	DI0087	Chronic pain	[ICD-11: MG30]	Q92847	GHSR
T59604	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	Q92847	GHSR
T84631	DI0053	Blood-forming organ disease	[ICD-11: 3C0Z]	P00742	F10
T84631	DI0080	Christmas disease	[ICD-11: 3B11]	P00742	F10
T84631	DI0091	Coagulation defect	[ICD-11: 3B10]	P00742	F10
T84631	DI0103	Coronary thrombosis	[ICD-11: BA43]	P00742	F10
T84631	DI0114	Deep vein thrombosis	[ICD-11: BD71]	P00742	F10
T84631	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P00742	F10
T84631	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00742	F10
T84631	DI0433	Venous thromboembolism	[ICD-11: BD72]	P00742	F10
T76059	DI0331	Parkinsonism	[ICD-11: 8A00]	P62942	FKBP1A
T76059	DI0349	Pruritus	[ICD-11: EC90]	P62942	FKBP1A
T76059	DI0413	Transplant rejection	[ICD-11: NE84]	P62942	FKBP1A
T10897	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O00767	SCD
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T92609	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35348	ADRA1A
T92609	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P35348	ADRA1A
T67619	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P31749	AKT1
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T78429	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O15111	CHUK
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
T67849	DI0151	Follicular lymphoma	[ICD-11: 2A80]	O00329	PIK3CD
T67849	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00329	PIK3CD
T67849	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	O00329	PIK3CD
T67849	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O00329	PIK3CD
T67849	DI0395	Stomach cancer	[ICD-11: 2B72]	O00329	PIK3CD
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
T37693	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P34972	CNR2
T37693	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P34972	CNR2
T15497	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P34995	PTGER1
T49898	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06493	CDK1
T49898	DI0238	Lung cancer	[ICD-11: 2C25]	P06493	CDK1
T49898	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P06493	CDK1
T49898	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P06493	CDK1
T49898	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06493	CDK1
T08922	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	O00763	ACACB
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
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T95913	DI0151	Follicular lymphoma	[ICD-11: 2A80]	P48736	PIK3CG
T95913	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P48736	PIK3CG
T95913	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P48736	PIK3CG
T07663	DI0190	Hypertension	[ICD-11: BA00-BA04]	O76074	PDE5A
T07663	DI0213	Innate/adaptive immunodeficiency	[ICD-11: 4A00]	O76074	PDE5A
T07663	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	O76074	PDE5A
T07663	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	O76074	PDE5A
T69912	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q13093	PLA2G7
T69912	DI0035	Arterial occlusive disease	[ICD-11: BD40]	Q13093	PLA2G7
T69912	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	Q13093	PLA2G7
T89360	DI0413	Transplant rejection	[ICD-11: NE84]	P12268	IMPDH2
T13852	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P21453	S1PR1
T13852	DI0419	Ulcerative colitis	[ICD-11: DD71]	P21453	S1PR1
T12475	DI0130	Endometriosis	[ICD-11: GA10]	P30968	GNRHR
T12475	DI0322	Ovarian developmental anomaly	[ICD-11: LB45]	P30968	GNRHR
T12475	DI0323	Ovarian dysfunction	[ICD-11: 5A80]	P30968	GNRHR
T12475	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30968	GNRHR
T12475	DI0346	Prostate cancer	[ICD-11: 2C82]	P30968	GNRHR
T12475	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P30968	GNRHR
T28330	DI0210	Influenza	[ICD-11: 1E30-1E32]	P32238	CCKAR
T28330	DI0328	Pancreatic malfunction	[ICD-11: DC30-DC3Z]	P32238	CCKAR
T61744	DI0037	Asthma	[ICD-11: CA23]	P27815	PDE4A
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T75440	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P30536	TSPO
T75440	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P30536	TSPO
T75440	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P30536	TSPO
T75440	DI0216	Intentional self-harm	[ICD-11: PC91]	P30536	TSPO
T75440	DI0271	Mood/affect symptom	[ICD-11: MB24]	P30536	TSPO
T75440	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P30536	TSPO
T69485	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43614	HCRTR2
T73482	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O43613	HCRTR1
T73482	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O43613	HCRTR1
T73482	DI0317	Opioid use disorder	[ICD-11: 6C43]	O43613	HCRTR1
T54582	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	P43490	NAMPT
T54582	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P43490	NAMPT
T54582	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P43490	NAMPT
T36741	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O15151	MDM4
T36741	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O15151	MDM4
T36741	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O15151	MDM4
T36741	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O15151	MDM4
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
T10265	DI0037	Asthma	[ICD-11: CA23]	Q07343	PDE4B
T10265	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	Q07343	PDE4B
T10265	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	Q07343	PDE4B
T89055	DI0252	Melanoma	[ICD-11: 2C30]	P36507	MAP2K2
T89055	DI0407	Thyroid cancer	[ICD-11: 2D10]	P36507	MAP2K2
T12541	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	Q9UBF8	PI4KB
T12541	DI0440	Zoonotic viral disease	ICD-11: 1D6Y	Q9UBF8	PI4KB
T25265	DI0151	Follicular lymphoma	[ICD-11: 2A80]	Q15910	EZH2
T10670	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P49146	NPY2R
T10670	DI0257	Metabolic disorder	[ICD-11: 5C50-5D2Z]	P49146	NPY2R
T10670	DI0308	Obesity	[ICD-11: 5B80-5B81]	P49146	NPY2R
T11241	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q99500	S1PR3
T39054	DI0238	Lung cancer	[ICD-11: 2C25]	P33316	DUT
T39054	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P33316	DUT
T95558	DI0203	Inborn lipid metabolism error	[ICD-11: 5C52]	Q96PD7	DGAT2