Compound details

Arisanschinin I

Compound ID	CDAMM02247
Common name	Arisanschinin I
IUPAC name	(3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) 2-methylbut-2-enoate
Molecular formula	C₂₇H₃₂O₉

Experimental data

Retention time	9.12
Adduct	[M+H]+
Actual mz	501.212
Theoretical mz	501.212
Error	0.95
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.2233

Identifiers and class information

Inchi key	TXIXVKOZNHGRIZ-MDWZMJQENA-N
Smiles	O=C(OC1C=2C=C(OC)C(OC)=C(O)C2C3=C(OC)C=4OCOC4C=C3CC(C)C1(O)C)C(=CC)C
Superclass	Phenylpropanoids and polyketides
Class	Tannins

Plant source

Asparagus racemosus Willd.

External sources

HMDB ID
KNApSAcK ID	C00047728
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	75034056
PlantCyc ID
UNPD ID	UNPD22029
Coconut ID	CNP0229448
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	1
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)	7
Number of reactive functional groups (#rtvFG)	2
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	500.544
Computed dipole moment(dipole)	5.826
Total solvent accessible surface area (SASA)	758.49
Hydrophobic component of SASA (FOSA)	631.226
Hydrophilic component of SASA (FISA)	73.945
Pie component of the SASA (PISA)	53.32
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1461.51
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	7.25
Free energy of solvation of dipole (dip^2/V)	0.0232209
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0135177
Globularity descriptor (glob)	0.821136
Predicted polarizability in cubic angstroms (QPpolrz)	48.35
Predicted hexadecane/gas partition coefficient (QPlogPC16)	13.091
Predicted octanol/gas partition coefficient (QPlogPoct)	22.663
Predicted water/gas partition coefficient (QPlogPw)	10.937
Predicted octanol/water partition coefficient (QPlogPo/w)	4.85
Predicted aqueous solubility (QPlogS)	-6.203
Conformation-independent predicted aqueous solubility (CIQPlogS)	-7.006
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.68
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	1970.98
Predicted brain/blood partition coefficient (QPlogBB)	-0.589
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	1030.07
Predicted skin permeability, log Kp (QPlogKp)	-2.022
PM3 calculated ionization potential (IP(ev))	8.625
PM3 calculated electron affinity (EA(eV))	0.158
Number of likely metabolic reactions (#metab)	9
Prediction of binding to human serum albumin (QPlogKhsa)	0.841
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
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)	105.748
Number of nitrogen and oxygen atoms (#NandO)	9
Number of violations of Lipinski’s rule of five (RuleOfFive)	1
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
P06241	FYN	Tyrosine-protein kinase FYN	T17980	SwissTargetPrediction
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P00797	REN	Renin	T61622	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
O60341	KDM1A	Lysine-specific histone demethylase 1	T16739	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
Q9UBN7	HDAC6	Histone deacetylase 6	T22274	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
O75469	NR1I2	Pregnane X receptor	T82702	SwissTargetPrediction
P07339	CTSD	Cathepsin D	T67102	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
Q13547	HDAC1	Histone deacetylase 1	T68547	SwissTargetPrediction
P08069	IGF1R	Insulin-like growth factor I receptor	T48069	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
Q86V86	PIM3	Serine/threonine-protein kinase PIM3	T16596	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P09237	MMP7	Matrix metalloproteinase 7	T73475	SwissTargetPrediction
P30559	OXTR	Oxytocin receptor (by homology)	T84486	SwissTargetPrediction
P51449	RORC	Nuclear receptor ROR-gamma	T25307	SwissTargetPrediction
Q08499	PDE4D	Phosphodiesterase 4D	T02001	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P08238	HSP90AB1	Heat shock protein HSP 90-beta	T96623	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P01375	TNF	TNF-alpha	T20178	SwissTargetPrediction
P05771	PRKCB	Protein kinase C beta	T40276	SwissTargetPrediction
Q15858	SCN9A	Sodium channel protein type IX alpha subunit	T12119	SwissTargetPrediction
Q05397	PTK2	Focal adhesion kinase 1	T15068	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
Q02750	MAP2K1	Dual specificity mitogen-activated protein kinase kinase 1	T99057	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
P40763	STAT3	Signal transducer and activator of transcription 3	T29130	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P29597	TYK2	Tyrosine-protein kinase TYK2	T78932	SwissTargetPrediction
P00813	ADA	Adenosine deaminase	T03661	SwissTargetPrediction
Q05655	PRKCD	Protein kinase C delta	T44861	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P25024	CXCR1	Interleukin-8 receptor A	T00884	SwissTargetPrediction
P04629	NTRK1	Nerve growth factor receptor Trk-A	T07173	SwissTargetPrediction
P50750	CDK9	Cyclin-dependent kinase 9	T44458	SwissTargetPrediction
P08922	ROS1	Proto-oncogene tyrosine-protein kinase ROS	T69128	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P24557	TBXAS1	Thromboxane-A synthase	T78356	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
P50281	MMP14	Matrix metalloproteinase 14	T65019	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
P78527	PRKDC	DNA-dependent protein kinase	T81735	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
Q06187	BTK	Tyrosine-protein kinase BTK	T97719	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P46663	BDKRB1	Bradykinin B1 receptor	T58589	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
P35557	GCK	Hexokinase type IV	T87166	SwissTargetPrediction
Q14524	SCN5A	Sodium channel protein type V alpha subunit	T39716	SwissTargetPrediction
P51812	RPS6KA3	Ribosomal protein S6 kinase alpha 3	T03279	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
O00408	PDE2A	Phosphodiesterase 2A	T77400	SwissTargetPrediction
P08631	HCK	Tyrosine-protein kinase HCK	T31406	SwissTargetPrediction
P07948	LYN	Tyrosine-protein kinase Lyn	T68163	SwissTargetPrediction
P09769	FGR	Tyrosine-protein kinase FGR	T49925	SwissTargetPrediction
P29320	EPHA3	Ephrin type-A receptor 3	T28413	SwissTargetPrediction
Q16832	DDR2	Discoidin domain-containing receptor 2	T11764	SwissTargetPrediction
Q08345	DDR1	Epithelial discoidin domain-containing receptor 1	T09185	SwissTargetPrediction
Q9NR97	TLR8	Toll-like receptor 8	T48703	SwissTargetPrediction
Q9NYK1	TLR7	Toll-like receptor (TLR7/TLR9)	T46482	SwissTargetPrediction
Q9Y6F1	PARP3	Poly [ADP-ribose] polymerase 3	T17228	SwissTargetPrediction
P51512	MMP16	Matrix metalloproteinase 16	T35824	SwissTargetPrediction
P51511	MMP15	Matrix metalloproteinase 15	T81658	SwissTargetPrediction
P00740	F9	Coagulation factor IX	T83369	SwissTargetPrediction
P51843	NR0B1	Orphan nuclear receptor DAX-1	T23191	SEA

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
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
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
T61622	DI0190	Hypertension	[ICD-11: BA00-BA04]	P00797	REN
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
T16739	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O60341	KDM1A
T16739	DI0025	Alzheimer disease	[ICD-11: 8A20]	O60341	KDM1A
T16739	DI0138	Ewing sarcoma	[ICD-11: 2B52]	O60341	KDM1A
T16739	DI0238	Lung cancer	[ICD-11: 2C25]	O60341	KDM1A
T16739	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O60341	KDM1A
T16739	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O60341	KDM1A
T16739	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	O60341	KDM1A
T16739	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	O60341	KDM1A
T16739	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O60341	KDM1A
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
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
T22274	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9UBN7	HDAC6
T22274	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UBN7	HDAC6
T66665	DI0087	Chronic pain	[ICD-11: MG30]	P35354	PTGS2
T66665	DI0145	Female pelvic pain	[ICD-11: GA34]	P35354	PTGS2
T66665	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P35354	PTGS2
T66665	DI0207	Indeterminate colitis	[ICD-11: DD72]	P35354	PTGS2
T66665	DI0227	Knee osteoarthritis	[ICD-11: FA01]	P35354	PTGS2
T66665	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P35354	PTGS2
T66665	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35354	PTGS2
T66665	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35354	PTGS2
T66665	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	P35354	PTGS2
T11211	DI0005	Acne vulgaris	[ICD-11: ED80]	P10275	AR
T11211	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P10275	AR
T11211	DI0021	Alcoholic liver disease	[ICD-11: DB94]	P10275	AR
T11211	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P10275	AR
T11211	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P10275	AR
T11211	DI0145	Female pelvic pain	[ICD-11: GA34]	P10275	AR
T11211	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P10275	AR
T11211	DI0237	Low bone mass disorder	[ICD-11: FB83]	P10275	AR
T11211	DI0247	Mammary tumour	[ICD-11: 2C60-2C6Z]	P10275	AR
T11211	DI0346	Prostate cancer	[ICD-11: 2C82]	P10275	AR
T11211	DI0401	Testicular dysfunction	[ICD-11: 5A81]	P10275	AR
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
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
T67102	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07339	CTSD
T08856	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P22894	MMP8
T68547	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q13547	HDAC1
T68547	DI0283	Mycosis fungoides	[ICD-11: 2B01]	Q13547	HDAC1
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
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
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
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
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
T65864	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	Q16539	MAPK14
T65864	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q16539	MAPK14
T65864	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q16539	MAPK14
T65864	DI0437	Vitamin deficiency	[ICD-11: 5B55-5B5F]	Q16539	MAPK14
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
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
T07279	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9P1W9	PIM2
T07279	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9P1W9	PIM2
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
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
T73475	DI0238	Lung cancer	[ICD-11: 2C25]	P09237	MMP7
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
T25307	DI0042	Autoimmune disease	[ICD-11: 4A40-4A45]	P51449	RORC
T25307	DI0107	Crohn disease	[ICD-11: DD70]	P51449	RORC
T25307	DI0238	Lung cancer	[ICD-11: 2C25]	P51449	RORC
T25307	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P51449	RORC
T25307	DI0351	Psoriasis	[ICD-11: EA90]	P51449	RORC
T25307	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P51449	RORC
T02001	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	Q08499	PDE4D
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
T67619	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P31749	AKT1
T70977	DI0288	Myotonic disorder	[ICD-11: 8C71]	P49841	GSK3B
T96623	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P08238	HSP90AB1
T96623	DI0238	Lung cancer	[ICD-11: 2C25]	P08238	HSP90AB1
T96623	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P08238	HSP90AB1
T96623	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P08238	HSP90AB1
T96623	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P08238	HSP90AB1
T96623	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P08238	HSP90AB1
T96623	DI0395	Stomach cancer	[ICD-11: 2B72]	P08238	HSP90AB1
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T20178	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P01375	TNF
T20178	DI0274	Multiple myeloma	[ICD-11: 2A83]	P01375	TNF
T20178	DI0351	Psoriasis	[ICD-11: EA90]	P01375	TNF
T20178	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P01375	TNF
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
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
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
T99057	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	Q02750	MAP2K1
T99057	DI0336	Phakomatoses/hamartoneoplastic syndrome	[ICD-11: LD2D]	Q02750	MAP2K1
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
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
T29130	DI0351	Psoriasis	[ICD-11: EA90]	P40763	STAT3
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
T03661	DI0016	Adaptive immunity immunodeficiency	[ICD-11: 4A01]	P00813	ADA
T03661	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P00813	ADA
T03661	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P00813	ADA
T44861	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q05655	PRKCD
T58970	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P28482	MAPK1
T58970	DI0252	Melanoma	[ICD-11: 2C30]	P28482	MAPK1
T58970	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P28482	MAPK1
T58970	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28482	MAPK1
T94479	DI0025	Alzheimer disease	[ICD-11: 8A20]	P23443	RPS6KB1
T94479	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P23443	RPS6KB1
T94479	DI0419	Ulcerative colitis	[ICD-11: DD71]	P23443	RPS6KB1
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
T00884	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25024	CXCR1
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
T69128	DI0238	Lung cancer	[ICD-11: 2C25]	P08922	ROS1
T69128	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P08922	ROS1
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T78356	DI0030	Angina pectoris	[ICD-11: BA40]	P24557	TBXAS1
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T65019	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P50281	MMP14
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
T81735	DI0360	Rectum cancer	[ICD-11: 2B92]	P78527	PRKDC
T81735	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P78527	PRKDC
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
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T97719	DI0231	Leukaemia	[ICD-11: 2A60-2B33]	Q06187	BTK
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T58589	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P46663	BDKRB1
T58589	DI0365	Retinopathy	[ICD-11: 9B71]	P46663	BDKRB1
T58589	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P46663	BDKRB1
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
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
T39716	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q14524	SCN5A
T39716	DI0068	Cardiac arrhythmia	[ICD-11: BC9Z]	Q14524	SCN5A
T39716	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	Q14524	SCN5A
T39716	DI0105	Cough	[ICD-11: MD12]	Q14524	SCN5A
T39716	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	Q14524	SCN5A
T39716	DI0264	Migraine	[ICD-11: 8A80]	Q14524	SCN5A
T39716	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q14524	SCN5A
T39716	DI0434	Ventricular tachyarrhythmia	[ICD-11: BC71]	Q14524	SCN5A
T03279	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P51812	RPS6KA3
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
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
T31406	DI0207	Indeterminate colitis	[ICD-11: DD72]	P08631	HCK
T68163	DI0281	Musculoskeletal disorder	[ICD-11: FA00-FC0Z]	P07948	LYN
T68163	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P07948	LYN
T28413	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P29320	EPHA3
T28413	DI0060	Brain cancer	[ICD-11: 2A00]	P29320	EPHA3
T28413	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P29320	EPHA3
T28413	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P29320	EPHA3
T48703	DI0133	Epidermal dysplasias	[ICD-11: EK90]	Q9NR97	TLR8
T48703	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	Q9NR97	TLR8
T48703	DI0180	Herpes simplex infection	[ICD-11: 1F00]	Q9NR97	TLR8
T48703	DI0239	Lupus erythematosus	[ICD-11: 4A40]	Q9NR97	TLR8
T48703	DI0252	Melanoma	[ICD-11: 2C30]	Q9NR97	TLR8
T48703	DI0283	Mycosis fungoides	[ICD-11: 2B01]	Q9NR97	TLR8
T48703	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9NR97	TLR8
T48703	DI0393	Squamous cell carcinoma	[ICD-11: 2B60-2D01]	Q9NR97	TLR8
T48703	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q9NR97	TLR8
T46482	DI0243	Malaria	[ICD-11: 1F40-1F45]	Q9NYK1	TLR7
T46482	DI0384	Skin disease	[ICD-11: EA00-EM0Z]	Q9NYK1	TLR7
T83369	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00740	F9
T83369	DI0091	Coagulation defect	[ICD-11: 3B10]	P00740	F9