Compound details

Auraptene

Compound ID	CDAMM00826
Common name	Auraptene
IUPAC name	7-(3,7-dimethylocta-2,6-dienoxy)chromen-2-one
Molecular formula	C₁₉H₂₂O₃

Experimental data

Retention time	15.56
Adduct	[M+H]+
Actual mz	299.165
Theoretical mz	299.164
Error	1.75
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.1123

Identifiers and class information

Inchi key	RSDDHGSKLOSQFK-RVDMUPIBSA-N
Smiles	O=C1OC=2C=C(OCC=C(C)CCC=C(C)C)C=CC2C=C1
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids

Plant source

Cinnamomum verum J. Presl

Convolvulus prostratus Forssk.

External sources

HMDB ID	HMDB0034054
KNApSAcK ID	C00029763
FooDB ID	FDB012300
DrugBank ID
ChEBI ID	CHEBI:93486
Pubchem Compound ID	400073
PlantCyc ID
UNPD ID	UNPD178048
Coconut ID	CNP0234675
LipidMAPS ID
NANPDB ID	NANPDB_1185

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)	6
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	298.381
Computed dipole moment(dipole)	7.787
Total solvent accessible surface area (SASA)	642.899
Hydrophobic component of SASA (FOSA)	342.421
Hydrophilic component of SASA (FISA)	72.003
Pie component of the SASA (PISA)	228.475
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1092.9
Number of hydrogen bond donors (donorHB)	0
Number of hydrogen bond acceptors (accptHB)	3.25
Free energy of solvation of dipole (dip^2/V)	0.0554895
Index of cohesive interaction in solids (ACxDN^.5/SA)	0
Globularity descriptor (glob)	0.798132
Predicted polarizability in cubic angstroms (QPpolrz)	35.913
Predicted hexadecane/gas partition coefficient (QPlogPC16)	10.46
Predicted octanol/gas partition coefficient (QPlogPoct)	13.77
Predicted water/gas partition coefficient (QPlogPw)	5.188
Predicted octanol/water partition coefficient (QPlogPo/w)	4.612
Predicted aqueous solubility (QPlogS)	-5.722
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.501
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.888
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	2056.36
Predicted brain/blood partition coefficient (QPlogBB)	-0.552
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	1078.38
Predicted skin permeability, log Kp (QPlogKp)	-1.466
PM3 calculated ionization potential (IP(ev))	9.24
PM3 calculated electron affinity (EA(eV))	0.892
Number of likely metabolic reactions (#metab)	7
Prediction of binding to human serum albumin (QPlogKhsa)	0.667
Predicted qualitative human oral absorption (HumanOralAbsorption)	3
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	100
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)	48.314
Number of nitrogen and oxygen atoms (#NandO)	3
Number of violations of Lipinski’s rule of five (RuleOfFive)	0
Number of violations of Jorgensen’s rule of three (RuleOfThree)	2

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P20309	CHRM3	Muscarinic acetylcholine receptor M3	T67684	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
O43570	CA12	Carbonic anhydrase XII	T16987	SwissTargetPrediction and SEA
Q16790	CA9	Carbonic anhydrase IX	T64567	SwissTargetPrediction and SEA
P29475	NOS1	Nitric-oxide synthase, brain	T16117	SwissTargetPrediction
P35228	NOS2	Nitric oxide synthase, inducible	T02703	SwissTargetPrediction
P29474	NOS3	Nitric-oxide synthase, endothelial	T06046	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P21397	MAOA	Monoamine oxidase A	T83875	SwissTargetPrediction and SEA
P00915	CA1	Carbonic anhydrase I	T13201	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
P34913	EPHX2	Epoxide hydratase	T35734	SwissTargetPrediction
Q02083	NAAA	N-acylsphingosine-amidohydrolase (by homology)	T78326	SwissTargetPrediction
P43166	CA7	Carbonic anhydrase VII	T37541	SwissTargetPrediction and SEA
P23280	CA6	Carbonic anhydrase VI	T06569	SEA
Q9ULX7	CA14	Carbonic anhydrase XIV	T31992	SwissTargetPrediction and SEA
P22748	CA4	Carbonic anhydrase IV	T53378	SEA
P27338	MAOB	Monoamine oxidase B	T83011	SwissTargetPrediction and SEA
P07949	RET	Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET	T60631	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P15538	CYP11B1	Cytochrome P450 11B1	T84621	SwissTargetPrediction
P19099	CYP11B2	Cytochrome P450 11B2	T59056	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
P18405	SRD5A1	Steroid 5-alpha-reductase 1	T70309	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
Q7Z2W7	TRPM8	Transient receptor potential cation channel subfamily M member 8	T41955	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
O00206	TLR4	Toll-like receptor 4 (by homology)	T81443	SwissTargetPrediction
Q14534	SQLE	Squalene monooxygenase (by homology)	T93344	SEA
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SEA
P53667	LIMK1	LIM domain kinase 1	T70840	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P55072	VCP	Transitional endoplasmic reticulum ATPase	T12646	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P16050	ALOX15	Arachidonate 15-lipoxygenase	T16042	SwissTargetPrediction
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
P49356	FNTB	Farnesyl protein transferase	T13127	SEA
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
Q15858	SCN9A	Sodium channel protein type IX alpha subunit	T12119	SwissTargetPrediction
P05362	ICAM1	Intercellular adhesion molecule-1	T26203	SwissTargetPrediction
P16581	SELE	Selectin E	T72835	SwissTargetPrediction
P17948	FLT1	Vascular endothelial growth factor receptor 1	T63966	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
Q9UGN5	PARP2	Poly [ADP-ribose] polymerase 2	T40812	SwissTargetPrediction
O60678	PRMT3	Protein arginine N-methyltransferase 3	T76723	SwissTargetPrediction
Q9UNA0	ADAMTS5	ADAMTS5	T98896	SwissTargetPrediction
P48039	MTNR1A	Melatonin receptor 1A	T97613	SwissTargetPrediction
P49286	MTNR1B	Melatonin receptor 1B	T48268	SwissTargetPrediction
P11362	FGFR1	Fibroblast growth factor receptor 1	T47101	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
P30837	ALDH1B1	Acetaldehyde dehydrogenase	T99641	SEA
Q16875	PFKFB3	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	T23787	SwissTargetPrediction
O14980	XPO1	Exportin-1	T51407	SEA
P30536	TSPO	Translocator protein (by homology)	T75440	SwissTargetPrediction
Q9Y210	TRPC6	Short transient receptor potential channel 6	T80165	SwissTargetPrediction
P51164	ATP4B	Potassium-transporting ATPase	T92687	SwissTargetPrediction
O14649	KCNK3	Potassium channel subfamily K member 3	T15795	SwissTargetPrediction
P53671	LIMK2	LIM domain kinase 2	T09133	SwissTargetPrediction
P43490	NAMPT	Nicotinamide phosphoribosyltransferase	T54582	SwissTargetPrediction
P16234	PDGFRA	Platelet-derived growth factor receptor	T53524	SwissTargetPrediction
P55201	BRPF1	Peregrin	T41145	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SEA
Q9UKP6	UTS2R	Urotensin II receptor	T49072	SwissTargetPrediction
P22001	KCNA3	Voltage-gated potassium channel subunit Kv1.3	T76914	SEA
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SEA
Q13464	ROCK1	Rho-associated protein kinase 1	T51282	SwissTargetPrediction
P10636	MAPT	Microtubule-associated protein tau	T45593	SwissTargetPrediction
Q08345	DDR1	Epithelial discoidin domain-containing receptor 1	T09185	SwissTargetPrediction
P30281	CCND3	Cyclin-dependent kinase 4/cyclin D	T72507	SwissTargetPrediction
P05129	PRKCG	Protein kinase C gamma	T47107	SwissTargetPrediction
Q92952	KCNN1	Small conductance calcium-activated potassium channel protein 1	T11911	SEA
P62937	PPIA	Cyclophilin A	T47081	SwissTargetPrediction
P48544	KCNJ5	Kir3.1/Kir3.4	T78692	SwissTargetPrediction
P48051	KCNJ6	Kir3.1/Kir3.2	T17721	SwissTargetPrediction
Q13882	PTK6	Tyrosine-protein kinase BRK	T73694	SwissTargetPrediction
P14618	PKM	Pyruvate kinase isozymes M1/M2	T65889	SwissTargetPrediction
Q9Y239	NOD1	Nucleotide-binding oligomerization domain-containing protein 1	T21038	SwissTargetPrediction
Q9NZ08	ERAP1	Endoplasmic reticulum aminopeptidase 1	T72849	SEA
Q9H2S1	KCNN2	Small conductance calcium-activated potassium channel protein 2	T86271	SEA
Q9UIF8	BAZ2B	Bromodomain adjacent to zinc finger domain protein 2B	T15745	SwissTargetPrediction
O15427	SLC16A3	Monocarboxylate transporter 4	T31788	SEA
P49356	FNTB	Farnesyl protein transferase	T13127	SEA
O95749	GGPS1	Geranyltranstransferase	T86528	SEA
Q09470	KCNA1	Voltage-gated potassium channel Kv1.1	T85272	SEA
Q96RP8	KCNA7	Voltage-gated potassium channel Kv1.7	T84737	SEA
P22459	KCNA4	Voltage-gated A-type potassium channel	T15665	SEA
P16389	KCNA2	Voltage-gated potassium channel Kv1.2	T19492	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T67684	DI0037	Asthma	[ICD-11: CA23]	P20309	CHRM3
T67684	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P20309	CHRM3
T67684	DI0154	Functional bladder disorder	[ICD-11: GC50]	P20309	CHRM3
T67684	DI0166	Glaucoma	[ICD-11: 9C61]	P20309	CHRM3
T67684	DI0293	Nausea/vomiting	[ICD-11: MD90]	P20309	CHRM3
T67684	DI0333	Peptic ulcer	[ICD-11: DA61]	P20309	CHRM3
T67684	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P20309	CHRM3
T67684	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P20309	CHRM3
T67684	DI0382	Sjogren syndrome	[ICD-11: 4A43]	P20309	CHRM3
T67684	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P20309	CHRM3
T77365	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P29274	ADORA2A
T77365	DI0331	Parkinsonism	[ICD-11: 8A00]	P29274	ADORA2A
T77365	DI0359	Radionuclide imaging	[ICD-11: N.A.]	P29274	ADORA2A
T92072	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P30542	ADORA1
T16987	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O43570	CA12
T16987	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	O43570	CA12
T64567	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16790	CA9
T16117	DI0173	Headache	[ICD-11: 8A80-8A84]	P29475	NOS1
T16117	DI0264	Migraine	[ICD-11: 8A80]	P29475	NOS1
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
T06046	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P29474	NOS3
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
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T83875	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P21397	MAOA
T83875	DI0331	Parkinsonism	[ICD-11: 8A00]	P21397	MAOA
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
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
T35734	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P34913	EPHX2
T35734	DI0190	Hypertension	[ICD-11: BA00-BA04]	P34913	EPHX2
T06569	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P23280	CA6
T06569	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P23280	CA6
T31992	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q9ULX7	CA14
T31992	DI0204	Inborn metabolism deficiency	[ICD-11: 5C50-5C59]	Q9ULX7	CA14
T53378	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P22748	CA4
T53378	DI0166	Glaucoma	[ICD-11: 9C61]	P22748	CA4
T53378	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P22748	CA4
T83011	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	P27338	MAOB
T83011	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P27338	MAOB
T83011	DI0190	Hypertension	[ICD-11: BA00-BA04]	P27338	MAOB
T83011	DI0243	Malaria	[ICD-11: 1F40-1F45]	P27338	MAOB
T83011	DI0264	Migraine	[ICD-11: 8A80]	P27338	MAOB
T83011	DI0331	Parkinsonism	[ICD-11: 8A00]	P27338	MAOB
T60631	DI0095	Colorectal cancer	[ICD-11: 2B91]	P07949	RET
T60631	DI0238	Lung cancer	[ICD-11: 2C25]	P07949	RET
T60631	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P07949	RET
T60631	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07949	RET
T60631	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P07949	RET
T60631	DI0407	Thyroid cancer	[ICD-11: 2D10]	P07949	RET
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T84621	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P15538	CYP11B1
T84621	DI0108	Cushing syndrome	[ICD-11: 5A70]	P15538	CYP11B1
T59056	DI0190	Hypertension	[ICD-11: BA00-BA04]	P19099	CYP11B2
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
T22939	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06401	PGR
T22939	DI0100	Contraceptive management	[ICD-11: QA21]	P06401	PGR
T22939	DI0255	Menstrual cycle bleeding disorder	[ICD-11: GA20]	P06401	PGR
T22939	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P06401	PGR
T22939	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06401	PGR
T70309	DI0347	Prostate disease	[ICD-11: GA91]	P18405	SRD5A1
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
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T54156	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P14780	MMP9
T54156	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P14780	MMP9
T54156	DI0395	Stomach cancer	[ICD-11: 2B72]	P14780	MMP9
T54156	DI0419	Ulcerative colitis	[ICD-11: DD71]	P14780	MMP9
T41955	DI0422	Upper respiratory tract disorder	[ICD-11: CA0Z]	Q7Z2W7	TRPM8
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T81443	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	O00206	TLR4
T81443	DI0346	Prostate cancer	[ICD-11: 2C82]	O00206	TLR4
T81443	DI0375	Sepsis	[ICD-11: 1G40-1G41]	O00206	TLR4
T93344	DI0118	Dermatophytosis	[ICD-11: 1F28]	Q14534	SQLE
T93344	DI0385	Skin fungal infection disorder	[ICD-11: EA60]	Q14534	SQLE
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
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
T28484	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P52732	KIF11
T28484	DI0172	Head and neck cancer	[ICD-11: 2D42]	P52732	KIF11
T28484	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P52732	KIF11
T28484	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P52732	KIF11
T28484	DI0274	Multiple myeloma	[ICD-11: 2A83]	P52732	KIF11
T28484	DI0321	Ovarian cancer	[ICD-11: 2C73]	P52732	KIF11
T28484	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P52732	KIF11
T28484	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P52732	KIF11
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
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
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
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
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
T40276	DI0123	Diffuse large B-cell lymphoma	[ICD-11: 2A81]	P05771	PRKCB
T40276	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P05771	PRKCB
T40276	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P05771	PRKCB
T12119	DI0051	Bipolar disorder	[ICD-11: 6A60]	Q15858	SCN9A
T12119	DI0087	Chronic pain	[ICD-11: MG30]	Q15858	SCN9A
T12119	DI0140	Extremities vasodilatation	[ICD-11: EG00]	Q15858	SCN9A
T12119	DI0163	General pain disorder	[ICD-11: 8E43]	Q15858	SCN9A
T12119	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q15858	SCN9A
T12119	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q15858	SCN9A
T12119	DI0358	Radiculopathy	[ICD-11: 8B93]	Q15858	SCN9A
T12119	DI0415	Trigeminal nerve disorder	[ICD-11: 8B82]	Q15858	SCN9A
T26203	DI0436	Visual system disease	[ICD-11: 9E1Z]	P05362	ICAM1
T72835	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P16581	SELE
T72835	DI0037	Asthma	[ICD-11: CA23]	P16581	SELE
T72835	DI0039	Atopic eczema	[ICD-11: EA80]	P16581	SELE
T72835	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P16581	SELE
T72835	DI0088	Circulatory system disease	[ICD-11: BE2Z]	P16581	SELE
T72835	DI0190	Hypertension	[ICD-11: BA00-BA04]	P16581	SELE
T72835	DI0351	Psoriasis	[ICD-11: EA90]	P16581	SELE
T63966	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P17948	FLT1
T57700	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P10721	KIT
T57700	DI0095	Colorectal cancer	[ICD-11: 2B91]	P10721	KIT
T57700	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P10721	KIT
T57700	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P10721	KIT
T57700	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P10721	KIT
T57700	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P10721	KIT
T57700	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P10721	KIT
T40812	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9UGN5	PARP2
T40812	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UGN5	PARP2
T98896	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q9UNA0	ADAMTS5
T97613	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P48039	MTNR1A
T48268	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P49286	MTNR1B
T47101	DI0095	Colorectal cancer	[ICD-11: 2B91]	P11362	FGFR1
T47101	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P11362	FGFR1
T47101	DI0235	Liver cancer	[ICD-11: 2C12]	P11362	FGFR1
T47101	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P11362	FGFR1
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
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
T99641	DI0396	Substance abuse	[ICD-11: 6C40]	P30837	ALDH1B1
T23787	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16875	PFKFB3
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
T92687	DI0161	Gastro-oesophageal reflux disease	[ICD-11: DA22]	P51164	ATP4B
T92687	DI0176	Helicobacter infection	[ICD-11: DA42-DA63]	P51164	ATP4B
T92687	DI0312	Oesophageal ulcer	[ICD-11: DA25]	P51164	ATP4B
T92687	DI0333	Peptic ulcer	[ICD-11: DA61]	P51164	ATP4B
T15795	DI0309	Obstructive sleep apnoea	[ICD-11: 7A41]	O14649	KCNK3
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
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
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T49072	DI0037	Asthma	[ICD-11: CA23]	Q9UKP6	UTS2R
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
T51282	DI0166	Glaucoma	[ICD-11: 9C61]	Q13464	ROCK1
T45593	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P10636	MAPT
T45593	DI0025	Alzheimer disease	[ICD-11: 8A20]	P10636	MAPT
T45593	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P10636	MAPT
T47107	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P05129	PRKCG
T47107	DI0248	Mastocytosis	[ICD-11: 2A21]	P05129	PRKCG
T11911	DI0285	Myelopathy	[ICD-11: 8B42]	Q92952	KCNN1
T47081	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P62937	PPIA
T78692	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P48544	KCNJ5
T78692	DI0183	Hodgkin lymphoma	[ICD-11: 2B30]	P48544	KCNJ5
T73694	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	Q13882	PTK6
T73694	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q13882	PTK6
T65889	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P14618	PKM
T86271	DI0285	Myelopathy	[ICD-11: 8B42]	Q9H2S1	KCNN2
T13127	DI0342	Premature ageing appearance	[ICD-11: LD2B]	P49356	FNTB
T86528	DI0057	Bone paget disease	[ICD-11: FB85]	O95749	GGPS1
T86528	DI0237	Low bone mass disorder	[ICD-11: FB83]	O95749	GGPS1
T86528	DI0267	Mineral excesses	[ICD-11: 5B91]	O95749	GGPS1
T86528	DI0281	Musculoskeletal disorder	[ICD-11: FA00-FC0Z]	O95749	GGPS1