Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.53 |
| ▸ | ERN1 | O75460 | 2/20 | 0.49 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6139521 | 0.83 | PTGS2 (0.69) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL6725632 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL5723312 | 0.76 | PTGS2 (0.53) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL19153574 | 0.75 | PTPRC (0.56) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL8654540 | 0.73 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL10073203 | 0.73 | PTGS2 (0.64) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL5723702 | 0.72 | PTGS2 (0.65) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL7984467 | 0.72 | PTGS2 (0.62) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL12834536 | 0.71 | ERN1 (0.63) | CA12CA2CA9ERN1KIF11 | |
| SCHEMBL5278272 | 0.70 | ALDH1A1 (0.72) | PTGS2CA12CA2CA9ERN1 |
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 |