Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 4/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | MATK | P42679 | 1/20 | 0.34 |
| ▸ | FRK | P42685 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326340 | 0.86 | PTGS2 (0.59) | PTGS2PTGS1GSK3BALDH1A1 | |
| SCHEMBL7567886 | 0.78 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL8902056 | 0.74 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL315215 | 0.70 | — | — | |
| SCHEMBL7627881 | 0.69 | PTGS2 (0.61) | PTGS2PTGS1ALDH1A1MAPK1GCGR | |
| SCHEMBL7573858 | 0.69 | PTGS2 (0.61) | PTGS2PTGS1GSK3BALDH1A1 | |
| SCHEMBL7568009 | 0.69 | PTGS2 (0.61) | PTGS2PTGS1GSK3BALDH1A1 | |
| SCHEMBL7569141 | 0.69 | PTGS1 (0.37) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL7565527 | 0.68 | PTGS2 (0.51) | PTGS2PTGS1GSK3BALDH1A1 | |
| SCHEMBL6725547 | 0.68 | PTGS1 (0.50) | PTGS2PTGS1GSK3BALDH1A1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | disclosed |