Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.55 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | GLS | O94925 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL934427 | 0.92 | EPHX2 (0.66) | EPHX2MAPK14ROCK2ROCK1FAAH | |
| SCHEMBL17335666 | 0.91 | EPHX2 (0.72) | EPHX2MAPK14FAAH | |
| SCHEMBL934551 | 0.89 | GLS (0.61) | EPHX2MAPK14ROCK2ROCK1PTGER1 | |
| SCHEMBL26051588 | 0.84 | MAPK14 (0.53) | EPHX2MAPK14ROCK2ROCK1GRM2 | |
| SCHEMBL7366428 | 0.84 | EPHX2 (0.58) | EPHX2MAPK14ROCK2ROCK1FAAH | |
| SCHEMBL5724446 | 0.83 | MAPK14 (0.63) | MAPK14ROCK2ROCK1GLSKCNB1 | |
| SCHEMBL19002581 | 0.83 | EPHX2 (0.80) | EPHX2FAAHALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL933617 | 0.83 | EPHX2 (0.58) | EPHX2CYP3A4CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL14684325 | 0.83 | MAPK14 (0.59) | MAPK14ROCK2ROCK1GRM2PTGER1 | |
| SCHEMBL17549817 | 0.81 | CYP3A4 (0.68) | EPHX2CYP3A4CYP2C19L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167509-A1 | PIPERAZINE AND Ý1,4¨DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-03-31 | — | — | EP | claimed |
| WO-2008151969-A1 | PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-18 | — | — | WO | claimed |
| EP-3452453-B1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | CALICO LIFE SCIENCES LLC (US) | 2022-04-13 | — | — | EP | disclosed |
| EP-2167509-A1 | PIPERAZINE AND Ý1,4¨DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008151969-A1 | PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-18 | — | — | WO | disclosed |