Compound details

Lunarine

Compound ID	CDAMM00513
Common name	Lunarine
IUPAC name	22-oxa-5,10,14-triazatetracyclo[16.9.2.01,23.021,28]nonacosa-2,16,18(29),19,21(28)-pentaene-4,15,25-trione
Molecular formula	C₂₅H₃₁N₃O₄

Experimental data

Retention time	13.37
Adduct	[M+H]+
Actual mz	438.235
Theoretical mz	438.238
Error	8.39
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	7.0009

Identifiers and class information

Inchi key	YIWJEBPTHXRHQF-RGCSKFIENA-N
Smiles	O=C1C=CC=2C=CC=3OC4CC(=O)CCC4(C=CC(=O)NCCCCNCCCN1)C3C2
Superclass	Phenylpropanoids and polyketides
Class	Macrolactams

Plant source

Piper longum L.

External sources

HMDB ID
KNApSAcK ID	C00002348
FooDB ID
DrugBank ID
ChEBI ID	CHEBI:6566
Pubchem Compound ID	157502
PlantCyc ID
UNPD ID	UNPD14131
Coconut ID	CNP0415009
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	0
Number of non-conjugated amine groups (#amine)	1
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)	14
Number of reactive functional groups (#rtvFG)	3
Predicted central nervous system activity (CNS)	-1
Molecular weight (mol_MW)	437.538
Computed dipole moment(dipole)	8.96
Total solvent accessible surface area (SASA)	609.152
Hydrophobic component of SASA (FOSA)	407.432
Hydrophilic component of SASA (FISA)	117.778
Pie component of the SASA (PISA)	83.942
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1232.9
Number of hydrogen bond donors (donorHB)	3
Number of hydrogen bond acceptors (accptHB)	9.25
Free energy of solvation of dipole (dip^2/V)	0.0651207
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0263013
Globularity descriptor (glob)	0.912834
Predicted polarizability in cubic angstroms (QPpolrz)	34.999
Predicted hexadecane/gas partition coefficient (QPlogPC16)	11.89
Predicted octanol/gas partition coefficient (QPlogPoct)	21.378
Predicted water/gas partition coefficient (QPlogPw)	12.974
Predicted octanol/water partition coefficient (QPlogPo/w)	1.857
Predicted aqueous solubility (QPlogS)	-0.843
Conformation-independent predicted aqueous solubility (CIQPlogS)	-3.762
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.069
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	188.762
Predicted brain/blood partition coefficient (QPlogBB)	-0.824
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	90.277
Predicted skin permeability, log Kp (QPlogKp)	-4.113
PM3 calculated ionization potential (IP(ev))	9.062
PM3 calculated electron affinity (EA(eV))	0.208
Number of likely metabolic reactions (#metab)	3
Prediction of binding to human serum albumin (QPlogKhsa)	-0.285
Predicted qualitative human oral absorption (HumanOralAbsorption)	2
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	78.553
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)	116.261
Number of nitrogen and oxygen atoms (#NandO)	7
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
Q9Y5N1	HRH3	Histamine H3 receptor	T64765	SwissTargetPrediction
P09874	PARP1	Poly [ADP-ribose] polymerase-1	T06273	SwissTargetPrediction
P21917	DRD4	Dopamine D4 receptor	T24983	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
P48449	LSS	Lanosterol synthase	T56175	SwissTargetPrediction
P27487	DPP4	Dipeptidyl peptidase IV	T31391	SwissTargetPrediction
P98170	XIAP	Inhibitor of apoptosis protein 3	T16769	SwissTargetPrediction
P28223	HTR2A	Serotonin 2a (5-HT2a) receptor	T32060	SwissTargetPrediction
P28335	HTR2C	Serotonin 2c (5-HT2c) receptor	T83813	SwissTargetPrediction
P08913	ADRA2A	Alpha-2a adrenergic receptor	T11448	SwissTargetPrediction
P28222	HTR1B	Serotonin 1b (5-HT1b) receptor	T07806	SwissTargetPrediction
P28221	HTR1D	Serotonin 1d (5-HT1d) receptor	T11072	SwissTargetPrediction
P08908	HTR1A	Serotonin 1a (5-HT1a) receptor	T78709	SwissTargetPrediction
P34969	HTR7	Serotonin 7 (5-HT7) receptor	T79062	SwissTargetPrediction
P24864	CCNE1	Cyclin-dependent kinase 2/cyclin E1	T10052	SwissTargetPrediction
Q99705	MCHR1	Melanin-concentrating hormone receptor 1	T09572	SwissTargetPrediction
O75164	KDM4A	Lysine-specific demethylase 4A	T18904	SwissTargetPrediction
O60885	BRD4	Bromodomain-containing protein 4	T00407	SwissTargetPrediction
P25440	BRD2	Bromodomain-containing protein 2	T86597	SwissTargetPrediction
P35367	HRH1	Histamine H1 receptor	T77913	SwissTargetPrediction
P49137	MAPKAPK2	MAP kinase-activated protein kinase 2	T21307	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P14780	MMP9	Matrix metalloproteinase 9	T54156	SwissTargetPrediction
Q9Y4C1	KDM3A	Lysine-specific demethylase 3A	T25362	SwissTargetPrediction
Q9UM73	ALK	ALK tyrosine kinase receptor	T56418	SwissTargetPrediction
P21728	DRD1	Dopamine D1 receptor	T22118	SwissTargetPrediction
P21918	DRD5	Dopamine D5 receptor	T46828	SwissTargetPrediction
P23975	SLC6A2	Norepinephrine transporter	T21945	SwissTargetPrediction
P18825	ADRA2C	Adrenergic receptor alpha-2	T01777	SwissTargetPrediction
P25100	ADRA1D	Alpha-1d adrenergic receptor	T53381	SwissTargetPrediction
P35368	ADRA1B	Alpha-1b adrenergic receptor	T29500	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P55072	VCP	Transitional endoplasmic reticulum ATPase	T12646	SwissTargetPrediction
P24941	CDK2	Cyclin-dependent kinase 2	T70176	SwissTargetPrediction
P36888	FLT3	Tyrosine-protein kinase receptor FLT3	T74312	SwissTargetPrediction
O14965	AURKA	Serine/threonine-protein kinase Aurora-A	T87675	SwissTargetPrediction
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
P37288	AVPR1A	Vasopressin V1a receptor (by homology)	T79232	SwissTargetPrediction
P30518	AVPR2	Vasopressin V2 receptor (by homology)	T66237	SwissTargetPrediction
Q92847	GHSR	Ghrelin receptor	T59604	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P48147	PREP	Prolyl endopeptidase	T86161	SwissTargetPrediction
Q9UHL4	DPP7	Dipeptidyl peptidase II	T50773	SwissTargetPrediction
P35348	ADRA1A	Alpha-1a adrenergic receptor	T92609	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P23458	JAK1	Tyrosine-protein kinase JAK1	T62460	SwissTargetPrediction
P01375	TNF	TNF-alpha	T20178	SwissTargetPrediction
P08581	MET	Hepatocyte growth factor receptor	T40474	SwissTargetPrediction
P41229	KDM5C	Lysine-specific demethylase 5C	T85540	SwissTargetPrediction
P36897	TGFBR1	TGF-beta receptor type I	T53389	SwissTargetPrediction
P10721	KIT	Stem cell growth factor receptor	T57700	SwissTargetPrediction
P35916	FLT4	Vascular endothelial growth factor receptor 3	T07303	SwissTargetPrediction
Q15078	CDK5R1	Cyclin-dependent kinase 5/CDK5 activator 1	T09513	SwissTargetPrediction
P12931	SRC	Tyrosine-protein kinase SRC	T85943	SwissTargetPrediction
Q9UGN5	PARP2	Poly [ADP-ribose] polymerase 2	T40812	SwissTargetPrediction
P52333	JAK3	Tyrosine-protein kinase JAK3	T23172	SwissTargetPrediction
P18089	ADRA2B	Alpha-2b adrenergic receptor	T41580	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
Q9UGL1	KDM5B	Lysine-specific demethylase 5B	T56871	SwissTargetPrediction
Q9Y2K7	KDM2A	Lysine-specific demethylase 2A	T71949	SwissTargetPrediction
P23443	RPS6KB1	Ribosomal protein S6 kinase 1	T94479	SwissTargetPrediction
P06493	CDK1	Cyclin-dependent kinase 1/cyclin B1	T49898	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P25025	CXCR2	Interleukin-8 receptor B	T56923	SwissTargetPrediction
P35346	SSTR5	Somatostatin receptor 5	T64830	SwissTargetPrediction
P46098	HTR3A	Serotonin 3a (5-HT3a) receptor	T64591	SwissTargetPrediction
O76074	PDE5A	Phosphodiesterase 5A	T07663	SwissTargetPrediction
P31751	AKT2	Serine/threonine-protein kinase AKT2	T94621	SwissTargetPrediction
Q13976	PRKG1	cGMP-dependent protein kinase 1 beta	T78543	SwissTargetPrediction
P53350	PLK1	Serine/threonine-protein kinase PLK1	T40694	SwissTargetPrediction
Q6V1X1	DPP8	Dipeptidyl peptidase VIII	T15855	SwissTargetPrediction
Q86TI2	DPP9	Dipeptidyl peptidase IX	T66252	SwissTargetPrediction
Q08881	ITK	Tyrosine-protein kinase ITK/TSK	T77537	SwissTargetPrediction
Q9UQM7	CAMK2A	CaM kinase II alpha	T18299	SwissTargetPrediction
Q96GD4	AURKB	Serine/threonine-protein kinase Aurora-B	T46781	SwissTargetPrediction
P55201	BRPF1	Peregrin	T41145	SwissTargetPrediction
P13569	CFTR	Cystic fibrosis transmembrane conductance regulator	T55654	SwissTargetPrediction
P51812	RPS6KA3	Ribosomal protein S6 kinase alpha 3	T03279	SwissTargetPrediction
Q9NZ70	TAK1	TGF-beta-activated kinase 1	T04361	SwissTargetPrediction
P00746	CFD	Complement factor D	T66383	SwissTargetPrediction
Q14680	MELK	Maternal embryonic leucine zipper kinase	T96892	SwissTargetPrediction
Q08345	DDR1	Epithelial discoidin domain-containing receptor 1	T09185	SwissTargetPrediction
Q99873	PRMT1	Protein-arginine N-methyltransferase 1	T16808	SwissTargetPrediction
O76083	PDE9A	Phosphodiesterase 9A	T17852	SwissTargetPrediction
Q14123	PDE1C	Phosphodiesterase 1C	T92439	SwissTargetPrediction
O96013	PAK4	Serine/threonine-protein kinase PAK 4	T98293	SwissTargetPrediction
P53634	CTSC	Dipeptidyl peptidase I	T70490	SwissTargetPrediction
Q9NYY3	PLK2	Serine/threonine-protein kinase PLK2	T59654	SwissTargetPrediction
P48048	KCNJ1	ATP-sensitive inward rectifier potassium channel 1	T78710	SwissTargetPrediction
O95470	SGPL1	Sphingosine-1-phosphate lyase 1	T01575	SwissTargetPrediction
O95602	POLR1A	DNA-directed RNA polymerase I subunit RPA1	T89530	SwissTargetPrediction
Q9NPI1	BRD7	Bromodomain-containing protein 7	T23984	SwissTargetPrediction
Q9H8M2	BRD9	Bromodomain-containing protein 9	T46216	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T64765	DI0392	Somnolence	[ICD-11: MG42]	Q9Y5N1	HRH3
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
T24983	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21917	DRD4
T24983	DI0370	Schizophrenia	[ICD-11: 6A20]	P21917	DRD4
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
T56175	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P48449	LSS
T31391	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P27487	DPP4
T31391	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P27487	DPP4
T16769	DI0259	Metastatic lymph node neoplasm	[ICD-11: 2D60]	P98170	XIAP
T32060	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P28223	HTR2A
T32060	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P28223	HTR2A
T32060	DI0073	Cerebral ischaemia	[ICD-11: 8B1Z]	P28223	HTR2A
T32060	DI0270	Mood disorder	[ICD-11: 6A60-6E23]	P28223	HTR2A
T32060	DI0331	Parkinsonism	[ICD-11: 8A00]	P28223	HTR2A
T32060	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28223	HTR2A
T32060	DI0370	Schizophrenia	[ICD-11: 6A20]	P28223	HTR2A
T83813	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P28335	HTR2C
T83813	DI0264	Migraine	[ICD-11: 8A80]	P28335	HTR2C
T83813	DI0308	Obesity	[ICD-11: 5B80-5B81]	P28335	HTR2C
T83813	DI0324	Pain	[ICD-11: MG30-MG3Z]	P28335	HTR2C
T83813	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28335	HTR2C
T11448	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P08913	ADRA2A
T11448	DI0317	Opioid use disorder	[ICD-11: 6C43]	P08913	ADRA2A
T11448	DI0396	Substance abuse	[ICD-11: 6C40]	P08913	ADRA2A
T07806	DI0264	Migraine	[ICD-11: 8A80]	P28222	HTR1B
T07806	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28222	HTR1B
T07806	DI0354	Psychotic disorder	[ICD-11: 6A20-6A25]	P28222	HTR1B
T07806	DI0370	Schizophrenia	[ICD-11: 6A20]	P28222	HTR1B
T11072	DI0264	Migraine	[ICD-11: 8A80]	P28221	HTR1D
T11072	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	P28221	HTR1D
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
T09572	DI0308	Obesity	[ICD-11: 5B80-5B81]	Q99705	MCHR1
T86597	DI0106	COVID-19	[ICD-11: 1D6Y]	P25440	BRD2
T77913	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P35367	HRH1
T77913	DI0033	Anxiety disorder	[ICD-11: 6B00-6B0Z]	P35367	HRH1
T77913	DI0063	Breathing abnormality	[ICD-11: MD11]	P35367	HRH1
T77913	DI0099	Conjunctiva disorder	[ICD-11: 9A60]	P35367	HRH1
T77913	DI0105	Cough	[ICD-11: MD12]	P35367	HRH1
T77913	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35367	HRH1
T77913	DI0136	Episodic vestibular syndrome	[ICD-11: AB31]	P35367	HRH1
T77913	DI0173	Headache	[ICD-11: 8A80-8A84]	P35367	HRH1
T77913	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P35367	HRH1
T77913	DI0272	Morning sickness disorder	[ICD-11: SC00]	P35367	HRH1
T77913	DI0292	Nasopharyngitis	[ICD-11: CA00]	P35367	HRH1
T77913	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35367	HRH1
T77913	DI0331	Parkinsonism	[ICD-11: 8A00]	P35367	HRH1
T77913	DI0349	Pruritus	[ICD-11: EC90]	P35367	HRH1
T77913	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P35367	HRH1
T77913	DI0388	Sleep-wake disorder	[ICD-11: 7A00-7B2Z]	P35367	HRH1
T77913	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P35367	HRH1
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
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T54156	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P14780	MMP9
T54156	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P14780	MMP9
T54156	DI0395	Stomach cancer	[ICD-11: 2B72]	P14780	MMP9
T54156	DI0419	Ulcerative colitis	[ICD-11: DD71]	P14780	MMP9
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
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
T46828	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P21918	DRD5
T21945	DI0013	Acute pain	[ICD-11: MG31]	P23975	SLC6A2
T21945	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P23975	SLC6A2
T21945	DI0087	Chronic pain	[ICD-11: MG30]	P23975	SLC6A2
T21945	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P23975	SLC6A2
T21945	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P23975	SLC6A2
T21945	DI0166	Glaucoma	[ICD-11: 9C61]	P23975	SLC6A2
T21945	DI0264	Migraine	[ICD-11: 8A80]	P23975	SLC6A2
T21945	DI0301	Nicotine use disorder	[ICD-11: 6C4A]	P23975	SLC6A2
T21945	DI0308	Obesity	[ICD-11: 5B80-5B81]	P23975	SLC6A2
T21945	DI0324	Pain	[ICD-11: MG30-MG3Z]	P23975	SLC6A2
T21945	DI0395	Stomach cancer	[ICD-11: 2B72]	P23975	SLC6A2
T01777	DI0166	Glaucoma	[ICD-11: 9C61]	P18825	ADRA2C
T01777	DI0190	Hypertension	[ICD-11: BA00-BA04]	P18825	ADRA2C
T01777	DI0196	Hypotension	[ICD-11: BA20-BA21]	P18825	ADRA2C
T01777	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18825	ADRA2C
T01777	DI0310	Ocular disease	[ICD-11: N.A.]	P18825	ADRA2C
T01777	DI0396	Substance abuse	[ICD-11: 6C40]	P18825	ADRA2C
T53381	DI0166	Glaucoma	[ICD-11: 9C61]	P25100	ADRA1D
T53381	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P25100	ADRA1D
T53381	DI0190	Hypertension	[ICD-11: BA00-BA04]	P25100	ADRA1D
T53381	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P25100	ADRA1D
T53381	DI0378	Sexual dysfunction	[ICD-11: HA00-HA01]	P25100	ADRA1D
T53381	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P25100	ADRA1D
T29500	DI0040	Attention deficit hyperactivity disorder	[ICD-11: 6A05]	P35368	ADRA1B
T29500	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35368	ADRA1B
T29500	DI0256	Mental/behavioural/neurodevelopmental disorder	[ICD-11: 6E20-6E8Z]	P35368	ADRA1B
T29500	DI0308	Obesity	[ICD-11: 5B80-5B81]	P35368	ADRA1B
T29500	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35368	ADRA1B
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
T63505	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00519	ABL1
T63505	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00519	ABL1
T63505	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P00519	ABL1
T63505	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00519	ABL1
T08391	DI0039	Atopic eczema	[ICD-11: EA80]	O60674	JAK2
T08391	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	O60674	JAK2
T08391	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	O60674	JAK2
T08391	DI0404	Thrombocytosis	[ICD-11: 3B63]	O60674	JAK2
T12646	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P55072	VCP
T12646	DI0274	Multiple myeloma	[ICD-11: 2A83]	P55072	VCP
T12646	DI0284	Myelodysplastic syndrome	[ICD-11: 2A37]	P55072	VCP
T12646	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P55072	VCP
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
T87675	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	O14965	AURKA
T87675	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14965	AURKA
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
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
T59604	DI0087	Chronic pain	[ICD-11: MG30]	Q92847	GHSR
T59604	DI0337	Pituitary gland disorder	[ICD-11: 5A60-5A61]	Q92847	GHSR
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
T86161	DI0092	Coeliac disease	[ICD-11: DA95]	P48147	PREP
T86161	DI0210	Influenza	[ICD-11: 1E30-1E32]	P48147	PREP
T86161	DI0238	Lung cancer	[ICD-11: 2C25]	P48147	PREP
T86161	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	P48147	PREP
T92609	DI0190	Hypertension	[ICD-11: BA00-BA04]	P35348	ADRA1A
T92609	DI0348	Prostate hyperplasia	[ICD-11: GA90]	P35348	ADRA1A
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
T62460	DI0039	Atopic eczema	[ICD-11: EA80]	P23458	JAK1
T62460	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P23458	JAK1
T62460	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P23458	JAK1
T62460	DI0404	Thrombocytosis	[ICD-11: 3B63]	P23458	JAK1
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
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
T53389	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P36897	TGFBR1
T53389	DI0238	Lung cancer	[ICD-11: 2C25]	P36897	TGFBR1
T57700	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P10721	KIT
T57700	DI0095	Colorectal cancer	[ICD-11: 2B91]	P10721	KIT
T57700	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P10721	KIT
T57700	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P10721	KIT
T57700	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P10721	KIT
T57700	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P10721	KIT
T57700	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P10721	KIT
T07303	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P35916	FLT4
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
T40812	DI0321	Ovarian cancer	[ICD-11: 2C73]	Q9UGN5	PARP2
T40812	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9UGN5	PARP2
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
T41580	DI0396	Substance abuse	[ICD-11: 6C40]	P18089	ADRA2B
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
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T56923	DI0155	Fungal infection	[ICD-11: 1F29-1F2F]	P25025	CXCR2
T56923	DI0324	Pain	[ICD-11: MG30-MG3Z]	P25025	CXCR2
T64830	DI0108	Cushing syndrome	[ICD-11: 5A70]	P35346	SSTR5
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
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
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
T15855	DI0300	Neutropenia	[ICD-11: 4B00]	Q6V1X1	DPP8
T66252	DI0300	Neutropenia	[ICD-11: 4B00]	Q86TI2	DPP9
T18299	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9UQM7	CAMK2A
T46781	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	Q96GD4	AURKB
T46781	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q96GD4	AURKB
T55654	DI0110	Cystic fibrosis	[ICD-11: CA25]	P13569	CFTR
T55654	DI0217	Intrathoracic organs injury	[ICD-11: NB32]	P13569	CFTR
T55654	DI0435	Viral intestinal infection	[ICD-11: 1A2Z]	P13569	CFTR
T03279	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P51812	RPS6KA3
T04361	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	Q9NZ70	TAK1
T66383	DI0170	Haemolytic anemia	[ICD-11: 3A20-3A2Z]	P00746	CFD
T66383	DI0365	Retinopathy	[ICD-11: 9B71]	P00746	CFD
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
T16808	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q99873	PRMT1
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
T98293	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O96013	PAK4
T98293	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O96013	PAK4
T70490	DI0064	Bronchiectasis	[ICD-11: CA24]	P53634	CTSC
T59654	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9NYY3	PLK2
T01575	DI0098	Congenital ichthyosis	[ICD-11: EC20]	O95470	SGPL1
T01575	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	O95470	SGPL1
T46216	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q9H8M2	BRD9