Compound details

Edulisin IV

Compound ID	CDAMM02489
Common name	Edulisin IV
IUPAC name	[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] propanoate
Molecular formula	C₁₉H₂₀O₇

Experimental data

Retention time	0.47
Adduct	[M+K]+
Actual mz	399.084
Theoretical mz	399.084
Error	0.4
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.1537

Identifiers and class information

Inchi key	YPBNKPNGOBYSJH-UHFFFAOYNA-N
Smiles	O=C1OC2=C(C=C1)C=CC=3OC(C(OC(=O)CC)C32)C(OC(=O)C)(C)C
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives

Plant source

Asparagus gonoclados Baker

External sources

HMDB ID	HMDB0041196
KNApSAcK ID	C00019858
FooDB ID	FDB021095
DrugBank ID
ChEBI ID
Pubchem Compound ID	131753064
PlantCyc ID
UNPD ID
Coconut ID	CNP0024897
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)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	4
Number of reactive functional groups (#rtvFG)	3
Predicted central nervous system activity (CNS)	-1
Molecular weight (mol_MW)	360.363
Computed dipole moment(dipole)	2.693
Total solvent accessible surface area (SASA)	627.774
Hydrophobic component of SASA (FOSA)	338.463
Hydrophilic component of SASA (FISA)	127.953
Pie component of the SASA (PISA)	161.357
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1131.99
Number of hydrogen bond donors (donorHB)	0
Number of hydrogen bond acceptors (accptHB)	7.25
Free energy of solvation of dipole (dip^2/V)	0.0064043
Index of cohesive interaction in solids (ACxDN^.5/SA)	0
Globularity descriptor (glob)	0.836738
Predicted polarizability in cubic angstroms (QPpolrz)	38.121
Predicted hexadecane/gas partition coefficient (QPlogPC16)	10.772
Predicted octanol/gas partition coefficient (QPlogPoct)	16.425
Predicted water/gas partition coefficient (QPlogPw)	9.457
Predicted octanol/water partition coefficient (QPlogPo/w)	2.453
Predicted aqueous solubility (QPlogS)	-3.666
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.013
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.943
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	606.066
Predicted brain/blood partition coefficient (QPlogBB)	-0.896
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	287.925
Predicted skin permeability, log Kp (QPlogKp)	-2.925
PM3 calculated ionization potential (IP(ev))	9.227
PM3 calculated electron affinity (EA(eV))	0.938
Number of likely metabolic reactions (#metab)	2
Prediction of binding to human serum albumin (QPlogKhsa)	-0.205
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	91.109
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)	112.676
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
P06241	FYN	Tyrosine-protein kinase FYN	T17980	SwissTargetPrediction
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
P35228	NOS2	Nitric oxide synthase, inducible	T02703	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P00734	F2	Thrombin	T94033	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	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
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
Q96RJ0	TAAR1	Trace amine-associated receptor 1 (by homology)	T99524	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
Q14416	GRM2	Metabotropic glutamate receptor 2	T62820	SwissTargetPrediction
P14867	GABRA1	GABA-A receptor; alpha-1/beta-2/gamma-2	T51487	SwissTargetPrediction
P43235	CTSK	Cathepsin K	T11388	SwissTargetPrediction
Q9H3R0	KDM4C	Lysine-specific demethylase 4C	T73863	SwissTargetPrediction
P23141	CES1	Acyl coenzyme A:cholesterol acyltransferase	T76369	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
O75762	TRPA1	Transient receptor potential cation channel subfamily A member 1	T84040	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P08069	IGF1R	Insulin-like growth factor I receptor	T48069	SwissTargetPrediction
P54760	EPHB4	Ephrin receptor	T49507	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P55072	VCP	Transitional endoplasmic reticulum ATPase	T12646	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P11802	CDK4	Cyclin-dependent kinase 4	T85799	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
Q16769	QPCT	Glutaminyl-peptide cyclotransferase	T46245	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
O75874	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	T69563	SwissTargetPrediction
P08172	CHRM2	Muscarinic acetylcholine receptor M2	T46185	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P48147	PREP	Prolyl endopeptidase	T86161	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
Q92831	KAT2B	Histone acetyltransferase PCAF	T16902	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P25098	GRK2	G-protein coupled receptor kinase 2	T62548	SwissTargetPrediction
Q12884	FAP	Fibroblast activation protein alpha (by homology)	T53764	SwissTargetPrediction
P49759	CLK1	Dual specificty protein kinase CLK1	T46685	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P29597	TYK2	Tyrosine-protein kinase TYK2	T78932	SwissTargetPrediction
P49286	MTNR1B	Melatonin receptor 1B	T48268	SwissTargetPrediction
O00311	CDC7	CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)	T81358	SwissTargetPrediction
Q9NWZ3	IRAK4	Interleukin-1 receptor-associated kinase 4	T55398	SwissTargetPrediction
P41279	MAP3K8	Mitogen-activated protein kinase kinase kinase 8	T00852	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
Q99808	SLC29A1	Equilibrative nucleoside transporter 1	T13491	SwissTargetPrediction
P31644	GABRA5	GABA receptor alpha-5 subunit	T26368	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
Q9Y5Z0	BACE2	Beta secretase 2	T01280	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
P68400	CSNK2A1	Casein kinase II alpha	T51565	SwissTargetPrediction
Q16875	PFKFB3	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	T23787	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
O14980	XPO1	Exportin-1	T51407	SEA
P30536	TSPO	Translocator protein (by homology)	T75440	SwissTargetPrediction
Q9UNQ0	ABCG2	ATP-binding cassette sub-family G member 2	T56556	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
O14649	KCNK3	Potassium channel subfamily K member 3	T15795	SwissTargetPrediction
Q9NPC2	KCNK9	Potassium channel subfamily K member 9	T57613	SwissTargetPrediction
P35557	GCK	Hexokinase type IV	T87166	SwissTargetPrediction
P16234	PDGFRA	Platelet-derived growth factor receptor	T53524	SwissTargetPrediction
P55201	BRPF1	Peregrin	T41145	SwissTargetPrediction
O75582	RPS6KA5	Ribosomal protein S6 kinase alpha 5	T50224	SwissTargetPrediction
Q14654	KCNJ11	Sulfonylurea receptor 2, Kir6.2	T00820	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
P08631	HCK	Tyrosine-protein kinase HCK	T31406	SwissTargetPrediction
Q13464	ROCK1	Rho-associated protein kinase 1	T51282	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P55786	NPEPPS	Puromycin-sensitive aminopeptidase	T15610	SwissTargetPrediction
Q9BYT3	STK33	Serine/threonine-protein kinase 33	T17552	SwissTargetPrediction
Q08752	PPID	Peptidyl-prolyl cis-trans isomerase D	T52447	SwissTargetPrediction
O95696	BRD1	Bromodomain-containing protein 1	T35809	SwissTargetPrediction
Q13936	CACNA1C	Voltage-gated L-type calcium channel alpha-1C subunit	T51115	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T17980	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06241	FYN
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
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
T94033	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00734	F2
T94033	DI0091	Coagulation defect	[ICD-11: 3B10]	P00734	F2
T94033	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P00734	F2
T94033	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P00734	F2
T94033	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00734	F2
T94033	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00734	F2
T94033	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P00734	F2
T94033	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00734	F2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
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
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
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
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
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T62820	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q14416	GRM2
T62820	DI0051	Bipolar disorder	[ICD-11: 6A60]	Q14416	GRM2
T62820	DI0116	Dengue fever	[ICD-11: 1D2Z]	Q14416	GRM2
T62820	DI0117	Depression	[ICD-11: 6A70-6A7Z]	Q14416	GRM2
T62820	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	Q14416	GRM2
T62820	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	Q14416	GRM2
T62820	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q14416	GRM2
T62820	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	Q14416	GRM2
T62820	DI0370	Schizophrenia	[ICD-11: 6A20]	Q14416	GRM2
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
T11388	DI0237	Low bone mass disorder	[ICD-11: FB83]	P43235	CTSK
T76369	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P23141	CES1
T76369	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P23141	CES1
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
T84040	DI0422	Upper respiratory tract disorder	[ICD-11: CA0Z]	O75762	TRPA1
T83193	DI0163	General pain disorder	[ICD-11: 8E43]	Q8NER1	TRPV1
T16347	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P18031	PTPN1
T16347	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P18031	PTPN1
T16347	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18031	PTPN1
T16347	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P18031	PTPN1
T48069	DI0276	Multiple structural anomalies syndrome	[ICD-11: LD2F]	P08069	IGF1R
T48069	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P08069	IGF1R
T48069	DI0408	Thyrotoxicosis	[ICD-11: 5A02]	P08069	IGF1R
T49507	DI0060	Brain cancer	[ICD-11: 2A00]	P54760	EPHB4
T49507	DI0111	Cystic/dysplastic kidney disease	[ICD-11: GB8Y]	P54760	EPHB4
T49507	DI0238	Lung cancer	[ICD-11: 2C25]	P54760	EPHB4
T49507	DI0261	Metastatic meninges neoplasm	[ICD-11: 2D51]	P54760	EPHB4
T49507	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	P54760	EPHB4
T50594	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P11309	PIM1
T50594	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11309	PIM1
T14597	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P04626	ERBB2
T14597	DI0238	Lung cancer	[ICD-11: 2C25]	P04626	ERBB2
T14597	DI0346	Prostate cancer	[ICD-11: 2C82]	P04626	ERBB2
T62449	DI0027	Anal cancer	[ICD-11: 2C00]	O14757	CHEK1
T62449	DI0172	Head and neck cancer	[ICD-11: 2D42]	O14757	CHEK1
T62449	DI0183	Hodgkin lymphoma	[ICD-11: 2B30]	O14757	CHEK1
T62449	DI0238	Lung cancer	[ICD-11: 2C25]	O14757	CHEK1
T62449	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O14757	CHEK1
T62449	DI0321	Ovarian cancer	[ICD-11: 2C73]	O14757	CHEK1
T62449	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O14757	CHEK1
T62449	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14757	CHEK1
T63505	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00519	ABL1
T63505	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00519	ABL1
T63505	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P00519	ABL1
T63505	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00519	ABL1
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
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
T85799	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11802	CDK4
T85799	DI0238	Lung cancer	[ICD-11: 2C25]	P11802	CDK4
T85799	DI0351	Psoriasis	[ICD-11: EA90]	P11802	CDK4
T82393	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P78536	ADAM17
T82393	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P78536	ADAM17
T46245	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	Q16769	QPCT
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
T69563	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O75874	IDH1
T46185	DI0037	Asthma	[ICD-11: CA23]	P08172	CHRM2
T46185	DI0166	Glaucoma	[ICD-11: 9C61]	P08172	CHRM2
T46185	DI0278	Muscle disorder	[ICD-11: FB32-FB3Z]	P08172	CHRM2
T46185	DI0333	Peptic ulcer	[ICD-11: DA61]	P08172	CHRM2
T46185	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08172	CHRM2
T46185	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P08172	CHRM2
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
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
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
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
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
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
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
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
T78932	DI0351	Psoriasis	[ICD-11: EA90]	P29597	TYK2
T48268	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P49286	MTNR1B
T81358	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00311	CDC7
T81358	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O00311	CDC7
T55398	DI0039	Atopic eczema	[ICD-11: EA80]	Q9NWZ3	IRAK4
T55398	DI0109	Cutaneous lupus erythematosus	[ICD-11: EB50-EB5Z]	Q9NWZ3	IRAK4
T55398	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q9NWZ3	IRAK4
T55398	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q9NWZ3	IRAK4
T55398	DI0351	Psoriasis	[ICD-11: EA90]	Q9NWZ3	IRAK4
T55398	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9NWZ3	IRAK4
T00852	DI0207	Indeterminate colitis	[ICD-11: DD72]	P41279	MAP3K8
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
T13491	DI0030	Angina pectoris	[ICD-11: BA40]	Q99808	SLC29A1
T26368	DI0216	Intentional self-harm	[ICD-11: PC91]	P31644	GABRA5
T07173	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04629	NTRK1
T07173	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04629	NTRK1
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
T01280	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	Q9Y5Z0	BACE2
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
T23787	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16875	PFKFB3
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T51407	DI0234	Liposarcoma	[ICD-11: 2B59]	O14980	XPO1
T51407	DI0274	Multiple myeloma	[ICD-11: 2A83]	O14980	XPO1
T51407	DI0395	Stomach cancer	[ICD-11: 2B72]	O14980	XPO1
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
T56556	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9UNQ0	ABCG2
T56556	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9UNQ0	ABCG2
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
T15795	DI0309	Obstructive sleep apnoea	[ICD-11: 7A41]	O14649	KCNK3
T87166	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P35557	GCK
T87166	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P35557	GCK
T87166	DI0308	Obesity	[ICD-11: 5B80-5B81]	P35557	GCK
T87166	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P35557	GCK
T53524	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P16234	PDGFRA
T53524	DI0225	Kaposi sarcoma	[ICD-11: 2B57]	P16234	PDGFRA
T53524	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P16234	PDGFRA
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
T31406	DI0207	Indeterminate colitis	[ICD-11: DD72]	P08631	HCK
T51282	DI0166	Glaucoma	[ICD-11: 9C61]	Q13464	ROCK1
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
T15610	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P55786	NPEPPS
T15610	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P55786	NPEPPS
T51115	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q13936	CACNA1C