Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.75 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.72 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL2147057 | 0.87 | PTGS2 (0.61) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL8483738 | 0.85 | PTGS2 (0.81) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL8442044 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL790510 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL14276052 | 0.82 | PTGS2 (0.76) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL8483933 | 0.81 | PTGS2 (0.78) | PTGS2PTGS1 | |
| SCHEMBL15730118 | 0.80 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL8288817 | 0.80 | PTGS2 (0.73) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14163961 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D |
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 8 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 |
| WO-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | 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 |
| WO-2006130554-A2 | METHODS OF TREATING HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |