Compound details

Bakkenolide D

Compound ID	CDAMM01702
Common name	Bakkenolide D
IUPAC name	(3-acetyloxy-7,7a-dimethyl-4\'-methylidene-2\'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3\'-oxolane]-4-yl) 3-methylsulfanylprop-2-enoate
Molecular formula	C₂₁H₂₈O₆S

Experimental data

Retention time	10.25
Adduct	[M+H]+
Actual mz	409.172
Theoretical mz	409.168
Error	10.08
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.3344

Identifiers and class information

Inchi key	LWHLMCCRIWZBQO-CMDGGOBGNA-N
Smiles	O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(OC(=O)C)C12)C=CSC
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids

Plant source

Cinnamomum tamala (Buch.-Ham.) T.Nees & C.H.Eberm.

External sources

HMDB ID	HMDB0034998
KNApSAcK ID	C00021355
FooDB ID	FDB013602
DrugBank ID
ChEBI ID
Pubchem Compound ID	78384928
PlantCyc ID
UNPD ID	UNPD173231
Coconut ID	CNP0177819
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	0
Number of amidine and guanidine groups (#amidine)	0
Number of carboxylic acid groups (#acid)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	4
Number of reactive functional groups (#rtvFG)	2
Predicted central nervous system activity (CNS)	0
Molecular weight (mol_MW)	408.509
Computed dipole moment(dipole)	3.933
Total solvent accessible surface area (SASA)	673.358
Hydrophobic component of SASA (FOSA)	502.958
Hydrophilic component of SASA (FISA)	85.551
Pie component of the SASA (PISA)	38.934
Weakly polar component of the SASA (WPSA)	45.915
Total solvent accesible volume (volume)	1258.29
Number of hydrogen bond donors (donorHB)	0
Number of hydrogen bond acceptors (accptHB)	7.5
Free energy of solvation of dipole (dip^2/V)	0.0122911
Index of cohesive interaction in solids (ACxDN^.5/SA)	0
Globularity descriptor (glob)	0.837092
Predicted polarizability in cubic angstroms (QPpolrz)	42.006
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.099
Predicted octanol/gas partition coefficient (QPlogPoct)	17.866
Predicted water/gas partition coefficient (QPlogPw)	8.708
Predicted octanol/water partition coefficient (QPlogPo/w)	3.48
Predicted aqueous solubility (QPlogS)	-4.599
Conformation-independent predicted aqueous solubility (CIQPlogS)	-4.401
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.354
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	1529.73
Predicted brain/blood partition coefficient (QPlogBB)	-0.379
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	1397.72
Predicted skin permeability, log Kp (QPlogKp)	-2.575
PM3 calculated ionization potential (IP(ev))	9.19
PM3 calculated electron affinity (EA(eV))	0.694
Number of likely metabolic reactions (#metab)	1
Prediction of binding to human serum albumin (QPlogKhsa)	0.095
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)	99.65
Number of nitrogen and oxygen atoms (#NandO)	6
Number of violations of Lipinskiâ€™s rule of five (RuleOfFive)	0
Number of violations of Jorgensenâ€™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
P00533	EGFR	Epidermal growth factor receptor erbB1	T59328	SwissTargetPrediction
P11229	CHRM1	Muscarinic acetylcholine receptor M1	T28893	SwissTargetPrediction
O43570	CA12	Carbonic anhydrase XII	T16987	SwissTargetPrediction
Q16790	CA9	Carbonic anhydrase IX	T64567	SwissTargetPrediction
P34903	GABRA3	GABA A receptor alpha-3/beta-2/gamma-2	T62292	SwissTargetPrediction
P47869	GABRA2	GABA A receptor alpha-2/beta-2/gamma-2	T51452	SwissTargetPrediction
P30531	SLC6A1	GABA transporter 1	T62184	SwissTargetPrediction
Q14833	GRM4	Metabotropic glutamate receptor 4	T99402	SwissTargetPrediction
P41594	GRM5	Metabotropic glutamate receptor 5	T99347	SwissTargetPrediction
P21397	MAOA	Monoamine oxidase A	T83875	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
Q96RI1	NR1H4	Bile acid receptor FXR	T51426	SwissTargetPrediction
P21554	CNR1	Cannabinoid receptor 1 (by homology)	T76685	SwissTargetPrediction
P43166	CA7	Carbonic anhydrase VII	T37541	SwissTargetPrediction
Q9ULX7	CA14	Carbonic anhydrase XIV	T31992	SwissTargetPrediction
P27338	MAOB	Monoamine oxidase B	T83011	SwissTargetPrediction
P50406	HTR6	Serotonin 6 (5-HT6) receptor	T16691	SwissTargetPrediction
P14867	GABRA1	GABA-A receptor; alpha-1/beta-2/gamma-2	T51487	SwissTargetPrediction
P43235	CTSK	Cathepsin K	T11388	SwissTargetPrediction
P19099	CYP11B2	Cytochrome P450 11B2	T59056	SwissTargetPrediction
P49798	RGS4	Regulator of G-protein signaling 4	T93580	SwissTargetPrediction
Q9H3R0	KDM4C	Lysine-specific demethylase 4C	T73863	SwissTargetPrediction
P23141	CES1	Acyl coenzyme A:cholesterol acyltransferase	T76369	SwissTargetPrediction
Q5T7T8	COX1	Prostaglandin G/H synthase 1	T60529	SwissTargetPrediction
P35354	PTGS2	Cyclooxygenase-2	T66665	SwissTargetPrediction
Q6B0I6	KDM4D	Lysine-specific demethylase 4D	T17036	SwissTargetPrediction
P45983	MAPK8	c-Jun N-terminal kinase 1	T40097	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
Q15059	BRD3	Bromodomain-containing protein 3	T42048	SwissTargetPrediction
O00519	FAAH	Anandamide amidohydrolase	T11754	SwissTargetPrediction
P07339	CTSD	Cathepsin D	T67102	SwissTargetPrediction
P06746	POLB	DNA polymerase beta (by homology)	T06958	SwissTargetPrediction
O15054	KDM6B	Lysine-specific demethylase 6B	T56057	SwissTargetPrediction
Q9UM73	ALK	ALK tyrosine kinase receptor	T56418	SwissTargetPrediction
Q9HC97	GPR35	G-protein coupled receptor 35	T56143	SwissTargetPrediction
P52732	KIF11	Kinesin-like protein 1	T28484	SwissTargetPrediction
P11309	PIM1	Serine/threonine-protein kinase PIM1	T50594	SwissTargetPrediction
P04626	ERBB2	Receptor protein-tyrosine kinase erbB-2	T14597	SwissTargetPrediction
Q16539	MAPK14	MAP kinase p38 alpha	T65864	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
Q9P1W9	PIM2	Serine/threonine-protein kinase PIM2	T07279	SwissTargetPrediction
Q13535	ATR	Serine-protein kinase ATR	T97155	SwissTargetPrediction
Q16769	QPCT	Glutaminyl-peptide cyclotransferase	T46245	SwissTargetPrediction
O75874	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	T69563	SwissTargetPrediction
P07711	CTSL	Cathepsin L	T98691	SwissTargetPrediction
P32245	MC4R	Melanocortin receptor 4	T72458	SwissTargetPrediction
P07858	CTSB	Cathepsin (B and K)	T61746	SwissTargetPrediction
P23946	CMA1	Chymase	T05114	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P62942	FKBP1A	FK506-binding protein 1A	T76059	SwissTargetPrediction
P13500	CCL2	C-C motif chemokine 2	T89988	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P32246	CCR1	C-C chemokine receptor type 1	T16016	SwissTargetPrediction
P47871	GCGR	Glucagon receptor	T60182	SwissTargetPrediction
Q05397	PTK2	Focal adhesion kinase 1	T15068	SwissTargetPrediction
P49810	PSEN2	Gamma-secretase	T99204	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
Q99572	P2RX7	P2X purinoceptor 7	T63414	SwissTargetPrediction
P05186	ALPL	Alkaline phosphatase, tissue-nonspecific isozyme	T09538	SwissTargetPrediction
P17948	FLT1	Vascular endothelial growth factor receptor 1	T63966	SwissTargetPrediction
P29375	KDM5A	Lysine-specific demethylase 5A	T28052	SwissTargetPrediction
P40763	STAT3	Signal transducer and activator of transcription 3	T29130	SwissTargetPrediction
Q9UNA0	ADAMTS5	ADAMTS5	T98896	SwissTargetPrediction
P25774	CTSS	Cathepsin S	T68290	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P29597	TYK2	Tyrosine-protein kinase TYK2	T78932	SwissTargetPrediction
P34972	CNR2	Cannabinoid receptor 2	T37693	SwissTargetPrediction
P42892	ECE1	Endothelin-converting enzyme 1	T50970	SwissTargetPrediction
P41279	MAP3K8	Mitogen-activated protein kinase kinase kinase 8	T00852	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P31644	GABRA5	GABA receptor alpha-5 subunit	T26368	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P06737	PYGL	Liver glycogen phosphorylase	T19184	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
P46098	HTR3A	Serotonin 3a (5-HT3a) receptor	T64591	SwissTargetPrediction
Q9Y5Z0	BACE2	Beta secretase 2	T01280	SwissTargetPrediction
P32239	CCKBR	Cholecystokinin B receptor (by homology)	T05849	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
Q9Y4D2	DAGLA	Sn1-specific diacylglycerol lipase alpha	T03150	SwissTargetPrediction
P21453	S1PR1	Sphingosine 1-phosphate receptor Edg-1	T13852	SwissTargetPrediction
P48067	SLC6A9	Glycine transporter 1	T69685	SwissTargetPrediction
P56373	P2RX3	P2X purinoceptor 3	T17140	SwissTargetPrediction
P04049	RAF1	Serine/threonine-protein kinase RAF	T51883	SwissTargetPrediction
P32238	CCKAR	Cholecystokinin A receptor	T28330	SwissTargetPrediction
P30536	TSPO	Translocator protein (by homology)	T75440	SwissTargetPrediction
P25116	F2R	Proteinase-activated receptor 1	T36483	SwissTargetPrediction
Q14524	SCN5A	Sodium channel protein type V alpha subunit	T39716	SwissTargetPrediction
P22460	KCNA5	Voltage-gated potassium channel subunit Kv1.5	T17569	SwissTargetPrediction
O00255	MEN1	Menin	T17485	SwissTargetPrediction
P51679	CCR4	C-C chemokine receptor type 4	T06955	SwissTargetPrediction
P62937	PPIA	Cyclophilin A	T47081	SwissTargetPrediction
P28336	NMBR	Neuromedin B receptor	T68887	SwissTargetPrediction
P18507	GABRG2	GABA-A receptor; alpha-6/beta-3/gamma-2	T08910	SwissTargetPrediction
Q99250	SCN2A	Sodium channel protein type II alpha subunit	T29678	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
T28893	DI0001	Abdominal pelvic pain	[ICD-11: MD81]	P11229	CHRM1
T28893	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P11229	CHRM1
T28893	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P11229	CHRM1
T28893	DI0129	Dystonic disorder	[ICD-11: 8A02]	P11229	CHRM1
T28893	DI0154	Functional bladder disorder	[ICD-11: GC50]	P11229	CHRM1
T28893	DI0157	Gastric ulcer	[ICD-11: DA60]	P11229	CHRM1
T28893	DI0166	Glaucoma	[ICD-11: 9C61]	P11229	CHRM1
T28893	DI0186	Hyperhidrosis	[ICD-11: EE00]	P11229	CHRM1
T28893	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P11229	CHRM1
T28893	DI0331	Parkinsonism	[ICD-11: 8A00]	P11229	CHRM1
T28893	DI0333	Peptic ulcer	[ICD-11: DA61]	P11229	CHRM1
T28893	DI0371	Sebaceous gland disorder	[ICD-11: ED91]	P11229	CHRM1
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
T62292	DI0216	Intentional self-harm	[ICD-11: PC91]	P34903	GABRA3
T51452	DI0216	Intentional self-harm	[ICD-11: PC91]	P47869	GABRA2
T62184	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P30531	SLC6A1
T62184	DI0274	Multiple myeloma	[ICD-11: 2A83]	P30531	SLC6A1
T99402	DI0331	Parkinsonism	[ICD-11: 8A00]	Q14833	GRM4
T99347	DI0152	Fragile X chromosome	[ICD-11: LD55]	P41594	GRM5
T99347	DI0331	Parkinsonism	[ICD-11: 8A00]	P41594	GRM5
T83875	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P21397	MAOA
T83875	DI0331	Parkinsonism	[ICD-11: 8A00]	P21397	MAOA
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
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
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
T76685	DI0031	Anorexia nervosa	[ICD-11: 6B80]	P21554	CNR1
T76685	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P21554	CNR1
T76685	DI0308	Obesity	[ICD-11: 5B80-5B81]	P21554	CNR1
T31992	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	Q9ULX7	CA14
T31992	DI0204	Inborn metabolism deficiency	[ICD-11: 5C50-5C59]	Q9ULX7	CA14
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
T16691	DI0025	Alzheimer disease	[ICD-11: 8A20]	P50406	HTR6
T16691	DI0370	Schizophrenia	[ICD-11: 6A20]	P50406	HTR6
T51487	DI0014	Acute respiratory distress syndrome	[ICD-11: CB00]	P14867	GABRA1
T51487	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P14867	GABRA1
T51487	DI0082	Chronic insomnia	[ICD-11: 7A00]	P14867	GABRA1
T51487	DI0087	Chronic pain	[ICD-11: MG30]	P14867	GABRA1
T51487	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P14867	GABRA1
T51487	DI0112	Cystitis	[ICD-11: GC00]	P14867	GABRA1
T51487	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P14867	GABRA1
T51487	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P14867	GABRA1
T51487	DI0173	Headache	[ICD-11: 8A80-8A84]	P14867	GABRA1
T51487	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P14867	GABRA1
T51487	DI0243	Malaria	[ICD-11: 1F40-1F45]	P14867	GABRA1
T51487	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P14867	GABRA1
T51487	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P14867	GABRA1
T11388	DI0237	Low bone mass disorder	[ICD-11: FB83]	P43235	CTSK
T59056	DI0190	Hypertension	[ICD-11: BA00-BA04]	P19099	CYP11B2
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
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
T40097	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45983	MAPK8
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
T42048	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q15059	BRD3
T42048	DI0346	Prostate cancer	[ICD-11: 2C82]	Q15059	BRD3
T11754	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	O00519	FAAH
T67102	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P07339	CTSD
T06958	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06746	POLB
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
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
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
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
T07279	DI0274	Multiple myeloma	[ICD-11: 2A83]	Q9P1W9	PIM2
T07279	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9P1W9	PIM2
T97155	DI0238	Lung cancer	[ICD-11: 2C25]	Q13535	ATR
T97155	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q13535	ATR
T97155	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	Q13535	ATR
T97155	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q13535	ATR
T46245	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	Q16769	QPCT
T69563	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O75874	IDH1
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
T72458	DI0192	Hypoactive sexual desire dysfunction	[ICD-11: HA00]	P32245	MC4R
T72458	DI0228	Large intestine motility disorder	[ICD-11: DB32]	P32245	MC4R
T72458	DI0308	Obesity	[ICD-11: 5B80-5B81]	P32245	MC4R
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
T76059	DI0331	Parkinsonism	[ICD-11: 8A00]	P62942	FKBP1A
T76059	DI0349	Pruritus	[ICD-11: EC90]	P62942	FKBP1A
T76059	DI0413	Transplant rejection	[ICD-11: NE84]	P62942	FKBP1A
T89988	DI0083	Chronic kidney disease	[ICD-11: GB61]	P13500	CCL2
T89988	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P13500	CCL2
T89988	DI0087	Chronic pain	[ICD-11: MG30]	P13500	CCL2
T89988	DI0184	Human immunodeficiency virus disease	[ICD-11: 1C60-1C62]	P13500	CCL2
T89988	DI0252	Melanoma	[ICD-11: 2C30]	P13500	CCL2
T89988	DI0262	Metastatic tumour	[ICD-11: 2D50-2E2Z]	P13500	CCL2
T89988	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P13500	CCL2
T89988	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P13500	CCL2
T89988	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P13500	CCL2
T89988	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P13500	CCL2
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
T16016	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P32246	CCR1
T16016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P32246	CCR1
T60182	DI0193	Hypo-glycaemia	[ICD-11: 5A41]	P47871	GCGR
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
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
T67849	DI0151	Follicular lymphoma	[ICD-11: 2A80]	O00329	PIK3CD
T67849	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00329	PIK3CD
T67849	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	O00329	PIK3CD
T67849	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O00329	PIK3CD
T67849	DI0395	Stomach cancer	[ICD-11: 2B72]	O00329	PIK3CD
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
T63414	DI0224	Joint pain	[ICD-11: ME82]	Q99572	P2RX7
T09538	DI0164	Genetic prion disease	[ICD-11: 8E02]	P05186	ALPL
T09538	DI0330	Parasitic infection	[ICD-11: 1D0Y-1G2Z]	P05186	ALPL
T63966	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P17948	FLT1
T29130	DI0351	Psoriasis	[ICD-11: EA90]	P40763	STAT3
T98896	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q9UNA0	ADAMTS5
T68290	DI0042	Autoimmune disease	[ICD-11: 4A40-4A45]	P25774	CTSS
T68290	DI0092	Coeliac disease	[ICD-11: DA95]	P25774	CTSS
T68290	DI0107	Crohn disease	[ICD-11: DD70]	P25774	CTSS
T68290	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P25774	CTSS
T68290	DI0163	General pain disorder	[ICD-11: 8E43]	P25774	CTSS
T68290	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25774	CTSS
T68290	DI0382	Sjogren syndrome	[ICD-11: 4A43]	P25774	CTSS
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
T37693	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P34972	CNR2
T37693	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P34972	CNR2
T00852	DI0207	Indeterminate colitis	[ICD-11: DD72]	P41279	MAP3K8
T49898	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06493	CDK1
T49898	DI0238	Lung cancer	[ICD-11: 2C25]	P06493	CDK1
T49898	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P06493	CDK1
T49898	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P06493	CDK1
T49898	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06493	CDK1
T26368	DI0216	Intentional self-harm	[ICD-11: PC91]	P31644	GABRA5
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
T64591	DI0087	Chronic pain	[ICD-11: MG30]	P46098	HTR3A
T64591	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P46098	HTR3A
T64591	DI0134	Epilepsy/seizure	[ICD-11: 8A61-8A6Z]	P46098	HTR3A
T64591	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P46098	HTR3A
T64591	DI0293	Nausea/vomiting	[ICD-11: MD90]	P46098	HTR3A
T01280	DI0425	Urinary system clinical symptom	[ICD-11: MF8Y]	Q9Y5Z0	BACE2
T05849	DI0122	Diagnostic imaging	[ICD-11: N.A.]	P32239	CCKBR
T05849	DI0327	Pancreatic internal secretion disorder	[ICD-11: 5A4Y]	P32239	CCKBR
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T13852	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P21453	S1PR1
T13852	DI0419	Ulcerative colitis	[ICD-11: DD71]	P21453	S1PR1
T69685	DI0370	Schizophrenia	[ICD-11: 6A20]	P48067	SLC6A9
T17140	DI0105	Cough	[ICD-11: MD12]	P56373	P2RX3
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
T28330	DI0210	Influenza	[ICD-11: 1E30-1E32]	P32238	CCKAR
T28330	DI0328	Pancreatic malfunction	[ICD-11: DC30-DC3Z]	P32238	CCKAR
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
T36483	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P25116	F2R
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
T17569	DI0030	Angina pectoris	[ICD-11: BA40]	P22460	KCNA5
T17485	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	O00255	MEN1
T17485	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00255	MEN1
T06955	DI0283	Mycosis fungoides	[ICD-11: 2B01]	P51679	CCR4
T06955	DI0379	Sezary syndrome	[ICD-11: 2B02]	P51679	CCR4
T47081	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P62937	PPIA
T68887	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P28336	NMBR
T68887	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28336	NMBR
T08910	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P18507	GABRG2
T08910	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P18507	GABRG2
T08910	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P18507	GABRG2