Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | GSR | P00390 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL4321082 | 0.93 | ENPP2 (0.58) | PTGS2ENPP2GSRAKR1C3 | |
| SCHEMBL3468270 | 0.85 | ENPP2 (0.75) | PTGS2ENPP2 | |
| SCHEMBL7808806 | 0.85 | ALDH1A1 (0.67) | PTGS2AKR1C3 | |
| SCHEMBL2349058 | 0.85 | CA12 (0.66) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL6583952 | 0.85 | PTGS2 (0.65) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7677302 | 0.83 | PTGS2 (0.62) | PTGS2CA12CA2CA9ENPP2 | |
| SCHEMBL17981319 | 0.83 | PTGS2 (0.54) | PTGS2ENPP2MMP2MMP9MMP8 | |
| SCHEMBL29356248 | 0.83 | CA2 (0.69) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL10300269 | 0.83 | PTGS2 (0.62) | PTGS2CA12CA2CA9ENPP2 | |
| SCHEMBL7595976 | 0.83 | ENPP2 (0.48) | PTGS2ENPP2GSRAKR1C3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | claimed |
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | claimed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | WO | claimed |