Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7568987 | 1.00 | CYP1A1 (0.59) | CYP1A1CYP1A2CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL7567897 | 0.88 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL13790333 | 0.88 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL8367958 | 0.88 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL13790243 | 0.88 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL315215 | 0.85 | — | — | |
| SCHEMBL7569369 | 0.85 | CYP1A1 (0.58) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL7569362 | 0.85 | CYP1A1 (0.58) | CYP1A1CYP1A2CYP1B1ALDH1A1FBP1 | |
| SCHEMBL10031894 | 0.81 | NFE2L2 (0.58) | NFE2L2APPFBP1NQO2ALOX5 | |
| SCHEMBL7566377 | 0.81 | NFE2L2 (0.67) | CYP1A1CYP1A2CYP1B1NFE2L2NQO2 |
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 |