Compound details

Nitidulan

Compound ID	CDAMM00340
Common name	Nitidulan
IUPAC name	6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-1,3-benzodioxol-5-ol
Molecular formula	C₂₆H₂₈O₅

Experimental data

Retention time	33.787
Adduct	[M+H]+
Actual mz	421.207
Theoretical mz	421.201
Error	13.41
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.87

Identifiers and class information

Inchi key	CBOJKMZBEYAWFP-UHFFFAOYNA-N
Smiles	OC=1C=C2OCOC2=CC1C3COC4=C5C=CC(OC5=CC=C4C3)(C)CCC=C(C)C
Superclass	Phenylpropanoids and polyketides
Class	Isoflavonoids

Plant source

Pedalium murex L.

External sources

HMDB ID
KNApSAcK ID	C00009737
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	630783
PlantCyc ID
UNPD ID	UNPD193595
Coconut ID
LipidMAPS ID	LMPK12080022
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)	4
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	420.504
Computed dipole moment(dipole)	2.882
Total solvent accessible surface area (SASA)	688.532
Hydrophobic component of SASA (FOSA)	436.576
Hydrophilic component of SASA (FISA)	39.503
Pie component of the SASA (PISA)	212.453
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1286.3
Number of hydrogen bond donors (donorHB)	1
Number of hydrogen bond acceptors (accptHB)	3.75
Free energy of solvation of dipole (dip^2/V)	0.0064579
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0054464
Globularity descriptor (glob)	0.830746
Predicted polarizability in cubic angstroms (QPpolrz)	44.784
Predicted hexadecane/gas partition coefficient (QPlogPC16)	12.159
Predicted octanol/gas partition coefficient (QPlogPoct)	17.998
Predicted water/gas partition coefficient (QPlogPw)	7.366
Predicted octanol/water partition coefficient (QPlogPo/w)	5.778
Predicted aqueous solubility (QPlogS)	-6.793
Conformation-independent predicted aqueous solubility (CIQPlogS)	-7.331
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-5.284
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	4181.12
Predicted brain/blood partition coefficient (QPlogBB)	-0.059
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	2322.17
Predicted skin permeability, log Kp (QPlogKp)	-1.115
PM3 calculated ionization potential (IP(ev))	8.698
PM3 calculated electron affinity (EA(eV))	0.153
Number of likely metabolic reactions (#metab)	6
Prediction of binding to human serum albumin (QPlogKhsa)	1.231
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)	53.836
Number of nitrogen and oxygen atoms (#NandO)	5
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
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
Q99720	SIGMAR1	Sigma opioid receptor	T46360	SwissTargetPrediction
O15379	HDAC3	Histone deacetylase 3	T05090	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P19838	NFKB1	Nuclear factor NF-kappa-B p105 subunit	T83145	SwissTargetPrediction
P04054	PLA2G1B	Phospholipase A2 group 1B	T31479	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P34913	EPHX2	Epoxide hydratase	T35734	SwissTargetPrediction
Q05586	GRIN1	Glutamate NMDA receptor; GRIN1/GRIN2B	T62276	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
Q9UQL6	HDAC5	Histone deacetylase 5	T07930	SwissTargetPrediction
Q8WUI4	HDAC7	Histone deacetylase 7	T98698	SwissTargetPrediction
P56524	HDAC4	Histone deacetylase 4	T63816	SwissTargetPrediction
Q9UKV0	HDAC9	Histone deacetylase 9	T03687	SwissTargetPrediction
Q9UBN7	HDAC6	Histone deacetylase 6	T22274	SwissTargetPrediction
Q92769	HDAC2	Histone deacetylase 2	T51191	SwissTargetPrediction
P23141	CES1	Acyl coenzyme A:cholesterol acyltransferase	T76369	SwissTargetPrediction
Q5T7T8	COX1	Prostaglandin G/H synthase 1	T60529	SwissTargetPrediction
P11926	ODC1	Ornithine decarboxylase	T60366	SwissTargetPrediction and SEA
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
Q13547	HDAC1	Histone deacetylase 1	T68547	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
Q9BY41	HDAC8	Histone deacetylase 8	T28887	SwissTargetPrediction
Q9UM73	ALK	ALK tyrosine kinase receptor	T56418	SwissTargetPrediction
P35462	DRD3	Dopamine D3 receptor	T02551	SwissTargetPrediction
P21731	TBXA2R	Thromboxane A2 receptor	T76198	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P54760	EPHB4	Ephrin receptor	T49507	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P14061	HSD17B1	Estradiol 17-beta-dehydrogenase 1	T44011	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
P11802	CDK4	Cyclin-dependent kinase 4	T85799	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
P25105	PTAFR	Platelet activating factor receptor	T87023	SwissTargetPrediction
P49327	FASN	Fatty acid synthase	T16514	SwissTargetPrediction
P07711	CTSL	Cathepsin L	T98691	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P23946	CMA1	Chymase	T05114	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
O00767	SCD	Acyl-CoA desaturase	T10897	SwissTargetPrediction
O75460	ERN1	Serine/threonine-protein kinase/endoribonuclease IRE1	T01003	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
O96017	CHEK2	Serine/threonine-protein kinase Chk2	T28713	SwissTargetPrediction
P47871	GCGR	Glucagon receptor	T60182	SwissTargetPrediction
P36897	TGFBR1	TGF-beta receptor type I	T53389	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
Q9NR96	TLR9	Toll-like receptor (TLR7/TLR9)	T11451	SwissTargetPrediction
P30307	CDC25C	Dual specificity phosphatase Cdc25C	T40569	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
Q99835	SMO	Smoothened homolog	T66505	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
P30837	ALDH1B1	Acetaldehyde dehydrogenase	T99641	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
P04049	RAF1	Serine/threonine-protein kinase RAF	T51883	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
O60760	HPGDS	Hematopoietic prostaglandin D synthase	T19433	SwissTargetPrediction
P14679	TYR	Tyrosinase	T97035	SEA
Q14680	MELK	Maternal embryonic leucine zipper kinase	T96892	SwissTargetPrediction
P29371	TACR3	Neurokinin 3 receptor	T29683	SwissTargetPrediction
Q9UBF8	PI4KB	PI4-kinase beta subunit	T12541	SwissTargetPrediction
Q13464	ROCK1	Rho-associated protein kinase 1	T51282	SwissTargetPrediction
Q96DB2	HDAC11	Histone deacetylase 11	T97903	SwissTargetPrediction
Q00534	CDK6	Cyclin-dependent kinase 6	T89361	SwissTargetPrediction
Q969S8	HDAC10	Histone deacetylase 10	T94324	SwissTargetPrediction
P10599	TXN	Thioredoxin	T85616	SEA
P00740	F9	Coagulation factor IX	T83369	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
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
T46360	DI0105	Cough	[ICD-11: MD12]	Q99720	SIGMAR1
T05090	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O15379	HDAC3
T05090	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O15379	HDAC3
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T20401	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P00918	CA2
T20401	DI0137	Essential hypertension	[ICD-11: BA00]	P00918	CA2
T20401	DI0166	Glaucoma	[ICD-11: 9C61]	P00918	CA2
T20401	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P00918	CA2
T20401	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P00918	CA2
T20401	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00918	CA2
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T83145	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P19838	NFKB1
T83145	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P19838	NFKB1
T31479	DI0230	Leishmaniasis	[ICD-11: 1F54]	P04054	PLA2G1B
T31479	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P04054	PLA2G1B
T31479	DI0367	Rosacea	[ICD-11: ED90]	P04054	PLA2G1B
T31479	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P04054	PLA2G1B
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T35734	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P34913	EPHX2
T35734	DI0190	Hypertension	[ICD-11: BA00-BA04]	P34913	EPHX2
T62276	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q05586	GRIN1
T62276	DI0182	HIV-infected patients with tuberculosis	[ICD-11: 1B10-1B14]	Q05586	GRIN1
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
T63816	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P56524	HDAC4
T22274	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9UBN7	HDAC6
T22274	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UBN7	HDAC6
T51191	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q92769	HDAC2
T51191	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q92769	HDAC2
T76369	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P23141	CES1
T76369	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P23141	CES1
T60529	DI0141	Eye anterior segment structural developmental anomaly	[ICD-11: LA11]	Q5T7T8	COX1
T60529	DI0145	Female pelvic pain	[ICD-11: GA34]	Q5T7T8	COX1
T60529	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q5T7T8	COX1
T60529	DI0207	Indeterminate colitis	[ICD-11: DD72]	Q5T7T8	COX1
T60529	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q5T7T8	COX1
T60529	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q5T7T8	COX1
T60529	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q5T7T8	COX1
T60529	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q5T7T8	COX1
T60529	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q5T7T8	COX1
T60529	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	Q5T7T8	COX1
T60529	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	Q5T7T8	COX1
T60529	DI0419	Ulcerative colitis	[ICD-11: DD71]	Q5T7T8	COX1
T60366	DI0020	African trypanosomiasis	[ICD-11: 1F51]	P11926	ODC1
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
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
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T68547	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q13547	HDAC1
T68547	DI0283	Mycosis fungoides	[ICD-11: 2B01]	Q13547	HDAC1
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T28887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9BY41	HDAC8
T56418	DI0238	Lung cancer	[ICD-11: 2C25]	Q9UM73	ALK
T56418	DI0251	Mature T-cell lymphoma	[ICD-11: 2A90]	Q9UM73	ALK
T56418	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	Q9UM73	ALK
T02551	DI0051	Bipolar disorder	[ICD-11: 6A60]	P35462	DRD3
T02551	DI0331	Parkinsonism	[ICD-11: 8A00]	P35462	DRD3
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
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
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
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
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
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
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
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
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
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T82393	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P78536	ADAM17
T82393	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P78536	ADAM17
T87023	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P25105	PTAFR
T16514	DI0096	concerning food/fluid intake symptom	[ICD-11: MG43]	P49327	FASN
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
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
T05114	DI0039	Atopic eczema	[ICD-11: EA80]	P23946	CMA1
T05114	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P23946	CMA1
T05114	DI0169	Gram-positive bacterial infection	[ICD-11: 1B74-1F40]	P23946	CMA1
T05114	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P23946	CMA1
T05114	DI0229	Left ventricular failure	[ICD-11: BD11]	P23946	CMA1
T05114	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P23946	CMA1
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
T10897	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O00767	SCD
T01003	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	O75460	ERN1
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
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
T28713	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O96017	CHEK2
T60182	DI0193	Hypo-glycaemia	[ICD-11: 5A41]	P47871	GCGR
T53389	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P36897	TGFBR1
T53389	DI0238	Lung cancer	[ICD-11: 2C25]	P36897	TGFBR1
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
T11451	DI0095	Colorectal cancer	[ICD-11: 2B91]	Q9NR96	TLR9
T11451	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	Q9NR96	TLR9
T11451	DI0252	Melanoma	[ICD-11: 2C30]	Q9NR96	TLR9
T11451	DI0346	Prostate cancer	[ICD-11: 2C82]	Q9NR96	TLR9
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T66505	DI0047	Basal cell carcinoma	[ICD-11: 2C32]	Q99835	SMO
T66505	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	Q99835	SMO
T66505	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q99835	SMO
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
T99641	DI0396	Substance abuse	[ICD-11: 6C40]	P30837	ALDH1B1
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T51883	DI0252	Melanoma	[ICD-11: 2C30]	P04049	RAF1
T51883	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P04049	RAF1
T51883	DI0321	Ovarian cancer	[ICD-11: 2C73]	P04049	RAF1
T51883	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04049	RAF1
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T19433	DI0148	Flatworm infection	[ICD-11: 1F70-1F86]	O60760	HPGDS
T97035	DI0007	Acquired hypermelanosis	[ICD-11: ED60]	P14679	TYR
T97035	DI0008	Acquired hypomelanotic disorder	[ICD-11: ED63]	P14679	TYR
T96892	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q14680	MELK
T96892	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q14680	MELK
T96892	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q14680	MELK
T96892	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	Q14680	MELK
T96892	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	Q14680	MELK
T96892	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	Q14680	MELK
T29683	DI0254	Menopausal disorder	[ICD-11: GA30]	P29371	TACR3
T12541	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	Q9UBF8	PI4KB
T12541	DI0440	Zoonotic viral disease	ICD-11: 1D6Y	Q9UBF8	PI4KB
T51282	DI0166	Glaucoma	[ICD-11: 9C61]	Q13464	ROCK1
T89361	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q00534	CDK6
T89361	DI0238	Lung cancer	[ICD-11: 2C25]	Q00534	CDK6
T89361	DI0351	Psoriasis	[ICD-11: EA90]	Q00534	CDK6
T94324	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q969S8	HDAC10
T85616	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P10599	TXN
T83369	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00740	F9
T83369	DI0091	Coagulation defect	[ICD-11: 3B10]	P00740	F9