Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | STK10 | O94804 | 2/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7568009 | 0.71 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7573858 | 0.71 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7573867 | 0.71 | PTGS1 (0.47) | PTGS2PTGS1 | |
| SCHEMBL7567912 | 0.70 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL3832067 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL7565211 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL7570479 | 0.70 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL7569451 | 0.69 | PTGS2 (0.76) | PTGS2PTGS1 | |
| SCHEMBL7573838 | 0.69 | PTGS2 (0.76) | PTGS2PTGS1MAOB | |
| SCHEMBL7259290 | 0.68 | PTGS2 (0.53) | PTGS2PTGS1 |
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 |