Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5724360 | 0.85 | PTGS2 (0.55) | PTGS2PTGS1 | |
| SCHEMBL5723692 | 0.78 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL3844245 | 0.75 | PTGER1 (0.46) | — | |
| SCHEMBL5723973 | 0.74 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL5723641 | 0.73 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL7085155 | 0.72 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL5723724 | 0.72 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL5723555 | 0.71 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL8604437 | 0.70 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL6999652 | 0.69 | AKR1C3 (0.52) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406609-B1 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | claimed |