Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6590005 | 0.89 | PTGS2 (0.43) | PTGS2PTGS1ESR2 | |
| SCHEMBL4959110 | 0.82 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL4957579 | 0.79 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL4958867 | 0.77 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL6439880 | 0.74 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL6441194 | 0.74 | PTGS2 (0.46) | PTGS2PTGS1ESR2 | |
| SCHEMBL8487155 | 0.73 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL6469296 | 0.71 | ESR2 (0.42) | PTGS2PTGS1ESR2 | |
| SCHEMBL6438455 | 0.69 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL6441112 | 0.69 | GHSR (0.40) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542972-A4 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-01-23 | — | — | EP | claimed |
| EP-1542972-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-22 | — | — | EP | claimed |
| WO-2004010945-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-05 | — | — | WO | claimed |
| EP-1542972-A4 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1542972-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004010945-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-05 | — | — | WO | disclosed |