Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4958133 | 0.89 | PTGS2 (0.44) | PTGS2PTGS1GHSRCCNB2CDK1 | |
| SCHEMBL4957399 | 0.85 | PTGS2 (0.43) | PTGS2PTGS1CCNB2CDK1CCNB1 | |
| SCHEMBL4959251 | 0.85 | PTGS2 (0.40) | PTGS2PTGS1GHSRCCNB2CDK1 | |
| SCHEMBL4958756 | 0.85 | PTGS2 (0.44) | PTGS2PTGS1GHSRCCNB2CDK1 | |
| SCHEMBL4958956 | 0.83 | CCNB2 (0.35) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL6439748 | 0.83 | PTGS2 (0.44) | PTGS2PTGS1GHSRKMT2A | |
| SCHEMBL4957579 | 0.80 | PTGS2 (0.48) | PTGS2PTGS1GHSRCCNB2CDK1 | |
| SCHEMBL6439645 | 0.79 | PTGS2 (0.42) | PTGS2PTGS1GHSR | |
| SCHEMBL4957792 | 0.79 | CCNB2 (0.41) | PTGS2PTGS1GHSRCCNB2CDK1 | |
| SCHEMBL4957380 | 0.78 | PTGS2 (0.41) | PTGS2PTGS1CCNB2CDK1CCNB1 |
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 |