Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 2/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.40 |
| ▸ | FEN1 | P39748 | 3/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL790509 | 0.82 | PTGS2 (0.75) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL4814231 | 0.77 | PTGS2 (0.45) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2147057 | 0.77 | PTGS2 (0.61) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL16113473 | 0.77 | ALOX5AP (0.48) | PTGS2PTGS1MEN1THRBBLM | |
| SCHEMBL16113470 | 0.76 | PTGS2 (0.48) | PTGS2PTGS1MEN1THRBBLM | |
| SCHEMBL8770064 | 0.76 | ALOX5AP (0.47) | PTGS2PTGS1PTPRCALOX5APFEN1 | |
| SCHEMBL7045390 | 0.71 | PTGS2 (0.47) | PTGS2PTGS1MEN1THRBBLM | |
| SCHEMBL5701303 | 0.71 | ALOX5AP (0.49) | PTGS2PTGS1MEN1KMT2ATDP1 | |
| SCHEMBL5700053 | 0.71 | PTGS2 (0.59) | PTGS2PTGS1MEN1THRBBLM | |
| SCHEMBL8502588 | 0.70 | PTGS2 (0.40) | PTGS2PTGS1MEN1THRBBLM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |
| EP-2615916-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |
| EP-1976833-A2 | HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007107594-A2 | SIX-MEMBERED HETEROCYCLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007052073-A2 | HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-05-10 | — | — | WO | disclosed |