Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7567581 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6248249 | 0.79 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL21675747 | 0.72 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6672818 | 0.72 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3252409 | 0.72 | PTGS2 (0.68) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL8770202 | 0.72 | PTGS2 (0.79) | PTGS2PTGS1 | |
| SCHEMBL1687503 | 0.72 | PTGS2 (0.79) | PTGS2PTGS1 | |
| SCHEMBL8423806 | 0.72 | PTGS2 (0.69) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL21675748 | 0.71 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| 5-Hydroxy Rofecoxib SCHEMBL6331980 | 0.71 | PTGS2 (1.00) | 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 8 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 | claimed |
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | claimed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | claimed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | claimed |
| 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 |