Compound details

Imperialine beta-N-oxide

Compound ID	CDAMM02383
Common name	Imperialine beta-N-oxide
IUPAC name	10,20-dihydroxy-6,10,23-trimethyl-4-oxido-4-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Molecular formula	C₂₇H₄₃NO₄

Experimental data

Retention time	10.21
Adduct	[M+Na]+
Actual mz	468.309
Theoretical mz	468.308
Error	1.24
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	5.7051

Identifiers and class information

Inchi key	RTQDXHMAHWNJLQ-GXGKXCCANA-N
Smiles	O=C1CC2C3CCC4C(CN5(=O)CC(C)CCC5C4(O)C)C3CC2C6(C)CCC(O)CC16
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives

Plant source

Asparagus gonoclados Baker

External sources

HMDB ID
KNApSAcK ID	C00028383
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	3730728
PlantCyc ID
UNPD ID	UNPD105919
Coconut ID	CNP0363365
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)	2
Number of reactive functional groups (#rtvFG)	1
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	445.641
Computed dipole moment(dipole)	4.068
Total solvent accessible surface area (SASA)	684.088
Hydrophobic component of SASA (FOSA)	573.78
Hydrophilic component of SASA (FISA)	110.308
Pie component of the SASA (PISA)	0
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1359.72
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	7.45
Free energy of solvation of dipole (dip^2/V)	0.0121682
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0154014
Globularity descriptor (glob)	0.867666
Predicted polarizability in cubic angstroms (QPpolrz)	46.978
Predicted hexadecane/gas partition coefficient (QPlogPC16)	12.016
Predicted octanol/gas partition coefficient (QPlogPoct)	22.551
Predicted water/gas partition coefficient (QPlogPw)	11.942
Predicted octanol/water partition coefficient (QPlogPo/w)	3.858
Predicted aqueous solubility (QPlogS)	-3.691
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.193
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-3.673
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	890.936
Predicted brain/blood partition coefficient (QPlogBB)	-0.534
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	436.657
Predicted skin permeability, log Kp (QPlogKp)	-3.36
PM3 calculated ionization potential (IP(ev))	9.605
PM3 calculated electron affinity (EA(eV))	-0.878
Number of likely metabolic reactions (#metab)	4
Prediction of binding to human serum albumin (QPlogKhsa)	0.786
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)	75.086
Number of nitrogen and oxygen atoms (#NandO)	5
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
P29274	ADORA2A	Adenosine A2a receptor	T77365	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P00797	REN	Renin	T61622	SwissTargetPrediction
P05067	APP	Beta amyloid A4 protein	T87024	SwissTargetPrediction
P42338	PIK3CB	PI3-kinase p110-beta subunit	T05031	SwissTargetPrediction
P11712	CYP2C9	Cytochrome P450 2C9	T19244	SwissTargetPrediction
P08684	CYP3A4	Cytochrome P450 3A4	T37848	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
Q96RI1	NR1H4	Bile acid receptor FXR	T51426	SwissTargetPrediction
P17612	PRKACA	cAMP-dependent protein kinase alpha-catalytic subunit	T12808	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P29275	ADORA2B	Adenosine A2b receptor	T86679	SwissTargetPrediction
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
P08185	SERPINA6	Corticosteroid binding globulin	T88452	SEA
O75469	NR1I2	Pregnane X receptor	T82702	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P49137	MAPKAPK2	MAP kinase-activated protein kinase 2	T21307	SwissTargetPrediction
P11473	VDR	Vitamin D receptor	T34234	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
Q13133	NR1H3	LXR-alpha	T52297	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
P62993	GRB2	Growth factor receptor-bound protein 2	T30926	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
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
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
P06213	INSR	Insulin receptor	T85435	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P09237	MMP7	Matrix metalloproteinase 7	T73475	SwissTargetPrediction
P49327	FASN	Fatty acid synthase	T16514	SwissTargetPrediction
P37288	AVPR1A	Vasopressin V1a receptor (by homology)	T79232	SwissTargetPrediction
P30518	AVPR2	Vasopressin V2 receptor (by homology)	T66237	SwissTargetPrediction
P04035	HMGCR	HMG-CoA reductase	T53585	SwissTargetPrediction
P11413	G6PD	Glucose-6-phosphate 1-dehydrogenase	T63484	SEA
Q16850	CYP51A1	Cytochrome P450 51 (by homology)	T32972	SwissTargetPrediction
P20701	ITGAL	Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2	T35640	SwissTargetPrediction
P31749	AKT1	Serine/threonine-protein kinase AKT	T67619	SwissTargetPrediction
P49841	GSK3B	Glycogen synthase kinase-3 beta	T70977	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
O15111	CHUK	Inhibitor of NF-kappa-B kinase (IKK)	T78429	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
Q14432	PDE3A	Phosphodiesterase 3	T88975	SwissTargetPrediction
P24385	CCND1	Cyclin-dependent kinase 4/cyclin D1	T12355	SwissTargetPrediction
P33981	TTK	Dual specificity protein kinase TTK	T74977	SwissTargetPrediction
Q9UNA0	ADAMTS5	ADAMTS5	T98896	SwissTargetPrediction
P09619	PDGFRB	Platelet-derived growth factor receptor beta	T59102	SwissTargetPrediction
P11362	FGFR1	Fibroblast growth factor receptor 1	T47101	SwissTargetPrediction
P49840	GSK3A	Glycogen synthase kinase-3 alpha	T76910	SwissTargetPrediction
P50750	CDK9	Cyclin-dependent kinase 9	T44458	SwissTargetPrediction
Q99558	MAP3K14	Mitogen-activated protein kinase kinase kinase 14	T95736	SwissTargetPrediction
P49336	CDK8	Cell division protein kinase 8	T10822	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
P31751	AKT2	Serine/threonine-protein kinase AKT2	T94621	SwissTargetPrediction
Q9H244	P2RY12	Purinergic receptor P2Y12 (by homology)	T46937	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
Q08881	ITK	Tyrosine-protein kinase ITK/TSK	T77537	SwissTargetPrediction
Q16602	CALCRL	Calcitonin gene-related peptide type 1 receptor	T02226	SwissTargetPrediction
O43614	HCRTR2	Orexin receptor 2	T69485	SwissTargetPrediction
O43613	HCRTR1	Orexin receptor 1	T73482	SwissTargetPrediction
P25116	F2R	Proteinase-activated receptor 1	T36483	SwissTargetPrediction
P21452	TACR2	Neurokinin 2 receptor	T52790	SwissTargetPrediction
P22001	KCNA3	Voltage-gated potassium channel subunit Kv1.3	T76914	SwissTargetPrediction
Q13370	PDE3B	Phosphodiesterase 3B	T21357	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
O00408	PDE2A	Phosphodiesterase 2A	T77400	SwissTargetPrediction
Q7KZI7	MARK2	MAP/microtubule affinity-regulating kinase 2	T01396	SwissTargetPrediction
Q15910	EZH2	EZH2/SUZ12/EED/RBBP7/RBBP4	T25265	SwissTargetPrediction
Q00796	SORD	Sorbitol dehydrogenase	T59445	SwissTargetPrediction
P40189	IL6ST	Interleukin-6 receptor subunit beta	T93440	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
Q14123	PDE1C	Phosphodiesterase 1C	T92439	SwissTargetPrediction
Q08828	ADCY1	Brain adenylate cyclase 1	T63609	SwissTargetPrediction
O75173	ADAMTS4	ADAMTS4	T79570	SwissTargetPrediction
P49682	CXCR3	C-X-C chemokine receptor type 3	T25315	SwissTargetPrediction
Q5VT25	CDC42BPA	Serine or threonine-protein kinase MRCK-A	T00075	SwissTargetPrediction
P07288	KLK3	Prostate specific antigen	T36935	SwissTargetPrediction
O14764	GABRD	GABA(A) receptor delta	T27376	SEA

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
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
T87024	DI0025	Alzheimer disease	[ICD-11: 8A20]	P05067	APP
T87024	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P05067	APP
T05031	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42338	PIK3CB
T19244	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P11712	CYP2C9
T37848	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P08684	CYP3A4
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
T51426	DI0043	Autoimmune liver disease	[ICD-11: DB96]	Q96RI1	NR1H4
T51426	DI0077	Cholelithiasis	[ICD-11: DC11]	Q96RI1	NR1H4
T51426	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q96RI1	NR1H4
T12808	DI0279	Muscular atrophy	[ICD-11: 8B61]	P17612	PRKACA
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T86679	DI0180	Herpes simplex infection	[ICD-11: 1F00]	P29275	ADORA2B
T86679	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P29275	ADORA2B
T09572	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q99705	MCHR1
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
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
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
T88452	DI0037	Asthma	[ICD-11: CA23]	P08185	SERPINA6
T88452	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P08185	SERPINA6
T88452	DI0362	Respiratory system disease	[ICD-11: CB40-CB7Z]	P08185	SERPINA6
T13260	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11511	CYP19A1
T13260	DI0108	Cushing syndrome	[ICD-11: 5A70]	P11511	CYP19A1
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
T65200	DI0210	Influenza	[ICD-11: 1E30-1E32]	P28845	HSD11B1
T65200	DI0239	Lupus erythematosus	[ICD-11: 4A40]	P28845	HSD11B1
T65200	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P28845	HSD11B1
T21307	DI0011	Acute laryngitis/tracheitis	[ICD-11: CA05]	P49137	MAPKAPK2
T21307	DI0181	Hidradenitis suppurativa	[ICD-11: ED92]	P49137	MAPKAPK2
T21307	DI0269	Monogenic autoinflammatory syndrome	[ICD-11: 4A60]	P49137	MAPKAPK2
T21307	DI0334	Peritoneal cancer	[ICD-11: 2C51]	P49137	MAPKAPK2
T21307	DI0352	Psoriatic arthritis	[ICD-11: FA21]	P49137	MAPKAPK2
T21307	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P49137	MAPKAPK2
T21307	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P49137	MAPKAPK2
T34234	DI0083	Chronic kidney disease	[ICD-11: GB61]	P11473	VDR
T34234	DI0171	Hair/hair growth developmental defect	[ICD-11: LC30]	P11473	VDR
T34234	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P11473	VDR
T34234	DI0195	Hypo-parathyroidism	[ICD-11: 5A50]	P11473	VDR
T34234	DI0266	Mineral deficiency	[ICD-11: 5B5K]	P11473	VDR
T34234	DI0351	Psoriasis	[ICD-11: EA90]	P11473	VDR
T34234	DI0437	Vitamin deficiency	[ICD-11: 5B55-5B5F]	P11473	VDR
T08856	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P22894	MMP8
T52297	DI0117	Depression	[ICD-11: 6A70-6A7Z]	Q13133	NR1H3
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
T30926	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P62993	GRB2
T30926	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P62993	GRB2
T30926	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P62993	GRB2
T30926	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P62993	GRB2
T30926	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P62993	GRB2
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
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
T85435	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P06213	INSR
T85435	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P06213	INSR
T70176	DI0060	Brain cancer	[ICD-11: 2A00]	P24941	CDK2
T70176	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P24941	CDK2
T70176	DI0238	Lung cancer	[ICD-11: 2C25]	P24941	CDK2
T70176	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	P24941	CDK2
T70176	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P24941	CDK2
T70176	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P24941	CDK2
T70176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P24941	CDK2
T70176	DI0406	Thymoma	[ICD-11: 2C27]	P24941	CDK2
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T82393	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P78536	ADAM17
T82393	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P78536	ADAM17
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
T16514	DI0096	concerning food/fluid intake symptom	[ICD-11: MG43]	P49327	FASN
T79232	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37288	AVPR1A
T79232	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P37288	AVPR1A
T79232	DI0190	Hypertension	[ICD-11: BA00-BA04]	P37288	AVPR1A
T79232	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P37288	AVPR1A
T79232	DI0236	Localisation	[ICD-11: N.A.]	P37288	AVPR1A
T66237	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P30518	AVPR2
T66237	DI0041	Autism spectrum disorder	[ICD-11: 6A02]	P30518	AVPR2
T66237	DI0131	Enuresis	[ICD-11: 6C00]	P30518	AVPR2
T66237	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P30518	AVPR2
T66237	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P30518	AVPR2
T66237	DI0338	Polyuria	[ICD-11: MF55]	P30518	AVPR2
T53585	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	P04035	HMGCR
T53585	DI0102	Coronary atherosclerosis	[ICD-11: BA52]	P04035	HMGCR
T53585	DI0128	Dyslipidemia	[ICD-11: 5C80-5C81]	P04035	HMGCR
T53585	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	P04035	HMGCR
T53585	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P04035	HMGCR
T53585	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P04035	HMGCR
T53585	DI0324	Pain	[ICD-11: MG30-MG3Z]	P04035	HMGCR
T63484	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11413	G6PD
T32972	DI0209	Infectious meningitis	[ICD-11: 1D01]	Q16850	CYP51A1
T32972	DI0289	Nail/perionychium infection	[ICD-11: EE12]	Q16850	CYP51A1
T32972	DI0316	Onchocerciasis	[ICD-11: 1F6A]	Q16850	CYP51A1
T35640	DI0351	Psoriasis	[ICD-11: EA90]	P20701	ITGAL
T35640	DI0436	Visual system disease	[ICD-11: 9E1Z]	P20701	ITGAL
T67619	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P31749	AKT1
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
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T78429	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O15111	CHUK
T99204	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P49810	PSEN2
T99204	DI0380	Shoulder lesion	[ICD-11: FB53]	P49810	PSEN2
T99204	DI0390	Soft tissue disorder	[ICD-11: FB56]	P49810	PSEN2
T88975	DI0035	Arterial occlusive disease	[ICD-11: BD40]	Q14432	PDE3A
T88975	DI0037	Asthma	[ICD-11: CA23]	Q14432	PDE3A
T88975	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	Q14432	PDE3A
T88975	DI0404	Thrombocytosis	[ICD-11: 3B63]	Q14432	PDE3A
T12355	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P24385	CCND1
T74977	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P33981	TTK
T98896	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q9UNA0	ADAMTS5
T59102	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P09619	PDGFRB
T59102	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P09619	PDGFRB
T59102	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P09619	PDGFRB
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
T76910	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P49840	GSK3A
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
T10822	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P49336	CDK8
T10822	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P49336	CDK8
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T46937	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	Q9H244	P2RY12
T46937	DI0405	Thrombosis	[ICD-11: DB61-GB90]	Q9H244	P2RY12
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
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
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
T36483	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P25116	F2R
T52790	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P21452	TACR2
T76914	DI0198	Idiopathic inflammatory myopathy	[ICD-11: 4A41]	P22001	KCNA3
T76914	DI0351	Psoriasis	[ICD-11: EA90]	P22001	KCNA3
T76914	DI0352	Psoriatic arthritis	[ICD-11: FA21]	P22001	KCNA3
T10265	DI0037	Asthma	[ICD-11: CA23]	Q07343	PDE4B
T10265	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	Q07343	PDE4B
T10265	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	Q07343	PDE4B
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
T25265	DI0151	Follicular lymphoma	[ICD-11: 2A80]	Q15910	EZH2
T93440	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P40189	IL6ST
T17852	DI0025	Alzheimer disease	[ICD-11: 8A20]	O76083	PDE9A
T17852	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	O76083	PDE9A
T17852	DI0165	Genitourinary disease	[ICD-11: GA0Z-GC8Z]	O76083	PDE9A
T17852	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	O76083	PDE9A
T17852	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	O76083	PDE9A
T17852	DI0331	Parkinsonism	[ICD-11: 8A00]	O76083	PDE9A
T17852	DI0370	Schizophrenia	[ICD-11: 6A20]	O76083	PDE9A
T17852	DI0381	Sickle-cell disorder	[ICD-11: 3A51]	O76083	PDE9A
T63609	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q08828	ADCY1
T25315	DI0178	Hepatic fibrosis/cirrhosis	[ICD-11: DB93]	P49682	CXCR3
T25315	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P49682	CXCR3
T25315	DI0351	Psoriasis	[ICD-11: EA90]	P49682	CXCR3
T25315	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P49682	CXCR3
T36935	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P07288	KLK3
T36935	DI0346	Prostate cancer	[ICD-11: 2C82]	P07288	KLK3
T36935	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P07288	KLK3
T27376	DI0117	Depression	[ICD-11: 6A70-6A7Z]	O14764	GABRD
T27376	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	O14764	GABRD
T27376	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	O14764	GABRD