Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440855 | 0.88 | PTGS2 (0.42) | PTGS2ESR2CA12CA1CA2 | |
| SCHEMBL6440845 | 0.84 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL3863757 | 0.80 | CA1 (0.46) | PTGS2CA12CA1CA2CA4 | |
| SCHEMBL6441194 | 0.80 | PTGS2 (0.46) | PTGS2ESR2PTGS1 | |
| SCHEMBL6438240 | 0.79 | PTGS2 (0.48) | PTGS2ESR2PTGS1 | |
| SCHEMBL6441773 | 0.79 | PTGS2 (0.40) | PTGS2ESR2CA12CA1CA2 | |
| SCHEMBL6438709 | 0.78 | PTGS2 (0.43) | PTGS2ESR2CA12CA1CA2 | |
| SCHEMBL6522743 | 0.78 | PTGS2 (0.45) | PTGS2ESR2CA12CA1CA2 | |
| SCHEMBL6469296 | 0.77 | ESR2 (0.42) | PTGS2ESR2PTGS1 | |
| SCHEMBL6441366 | 0.77 | PTGS2 (0.39) | PTGS2ESR2 |
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-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |