Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326345 | 0.86 | PTGS1 (0.34) | PTGS1PTGS2CHEK1BACE1ALDH1A1 | |
| SCHEMBL7568017 | 0.70 | PTGS1 (0.47) | PTGS1PTGS2CHEK1BACE1HDAC3 | |
| SCHEMBL7565538 | 0.69 | PTGS1 (0.33) | PTGS1PTGS2 | |
| SCHEMBL7569131 | 0.69 | PTGS2 (0.43) | PTGS1PTGS2ALDH1A1 | |
| SCHEMBL7567886 | 0.68 | PTGS2 (0.72) | PTGS1PTGS2 | |
| SCHEMBL7565479 | 0.68 | PTGS2 (0.35) | PTGS1PTGS2ALDH1A1HTT | |
| SCHEMBL6050629 | 0.66 | PTGS2 (0.49) | PTGS1PTGS2 | |
| SCHEMBL10568378 | 0.64 | MAPK14 (0.54) | PTGS1PTGS2 | |
| SCHEMBL10567394 | 0.64 | MAPK14 (0.54) | PTGS1PTGS2 | |
| SCHEMBL6050640 | 0.64 | PTGS2 (0.52) | PTGS1PTGS2HPGDHSD17B10 |
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 |