Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3628702 | 0.83 | P2RX4 (0.46) | MAPK1NAMPTBCHEPRMT5WDR77 | |
| SCHEMBL27549444 | 0.82 | ESR2 (0.55) | MAPK1ESR2NR1H2DDB1CRBN | |
| SCHEMBL325210 | 0.82 | HDAC3 (0.38) | MAPK1NAMPTNR1H2HDAC3HSD17B3 | |
| SCHEMBL25245114 | 0.81 | ESR2 (0.42) | ESR2NR1H2GPR119DDB1CRBN | |
| SCHEMBL29712340 | 0.81 | NAMPT (0.41) | MAPK1NAMPTESR2NR1H2GPR119 | |
| SCHEMBL29493251 | 0.81 | HDAC3 (0.41) | MAPK1NAMPTBCHEHDAC3HSD17B3 | |
| SCHEMBL15056964 | 0.81 | HDAC3 (0.41) | MAPK1NAMPTBCHEHDAC3HSD17B3 | |
| SCHEMBL4553385 | 0.80 | MEN1 (0.45) | NAMPTHDAC3HSD17B3MEN1KMT2A | |
| SCHEMBL15056226 | 0.79 | P2RX4 (0.39) | BCHEHDAC3HSD17B3 | |
| SCHEMBL15056675 | 0.79 | HDAC3 (0.36) | MAPK1NAMPTHDAC3HSD17B3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205562-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | claimed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | claimed |
| EP-2007729-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-12-31 | — | — | EP | claimed |
| WO-2007107373-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (DE) | 2007-09-27 | — | — | WO | claimed |
| CN-111971282-B | Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators | 伊莱利利公司 | 2024-03-19 | — | — | CN | disclosed |
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |
| CN-110770236-B | VMAT2 inhibitor compounds and compositions thereof | 纽罗克里生物科学有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-115551831-A | CYP11A1 inhibitor | 奥赖恩公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-110770236-A | VMAT2 inhibitor compounds and compositions thereof | 纽罗克里生物科学有限公司 | 2020-02-07 | — | — | CN | disclosed |
| CN-108602805-A | Isoindoline, azaisoindoline, indenone and the dihydro azepine indone inhibitor of MNK1 and MNK2 | 效应治疗股份有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-105051037-B | Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent | LG化学株式会社 | 2018-05-18 | — | — | CN | disclosed |
| US-9920010-B2 | CXCR7 receptor modulators | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-03-20 | — | — | US | disclosed |
| WO-2003061660-A1 | MELANOCORTIN RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2002076979-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2002-10-03 | — | — | WO | disclosed |
| WO-2002059107-A1 | SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |
| WO-2002059108-A1 | MELANOCORTIN RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |
| EP-0832069-A1 | BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| EP-0828754-A1 | DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE | PFIZER INC. (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996038471-A1 | DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE | PFIZER INC. (US) | 1996-12-05 | — | — | WO | disclosed |
| WO-1996035713-A1 | DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE | PFIZER, INC. (US) | 1996-11-14 | — | — | WO | disclosed |