Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 5/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5815957 | 0.81 | PTGS2 (0.64) | PLA2G2APTGS2PTGS1CA12CA1 | |
| SCHEMBL7952544 | 0.79 | PLA2G2A (0.82) | PLA2G2APTGS2PTGS1 | |
| SCHEMBL7952825 | 0.78 | PLA2G2A (1.00) | PLA2G2APTGS2 | |
| SCHEMBL5806528 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL7968767 | 0.76 | PLA2G2A (0.78) | PLA2G2APTGS2 | |
| SCHEMBL5808472 | 0.74 | PLA2G2A (0.73) | PLA2G2APTGS2PTGS1 | |
| SCHEMBL5808467 | 0.69 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL12106622 | 0.68 | PTGS2 (0.84) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL5820566 | 0.68 | PTGS2 (1.00) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL5106790 | 0.67 | PTGS2 (0.75) | PTGS2PTGS1HRH4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | claimed |
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |