Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 15/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7566102 | 0.80 | PTGS2 (0.57) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL7573008 | 0.80 | PTGS2 (0.57) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL3832067 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7565211 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6274595 | 0.77 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6473400 | 0.77 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7567543 | 0.75 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7567551 | 0.75 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL4751671 | 0.75 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6989030 | 0.74 | PTGS2 (0.67) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 |