Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864045 | 0.85 | EPHX2 (0.61) | ALOX5PTGS2EPHX2CYP2C9PTGS1 | |
| SCHEMBL8954103 | 0.79 | PTGS2 (0.81) | ALOX5PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL8421124 | 0.78 | PTGS2 (0.89) | PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL3864744 | 0.78 | PTGS2 (0.61) | ALOX5PTGS2EPHX2CYP2C9PTGS1 | |
| SCHEMBL3862609 | 0.77 | PTGS2 (0.54) | ALOX5PTGS2EPHX2CYP2C9PTGS1 | |
| SCHEMBL3865585 | 0.76 | PTGS2 (0.55) | PTGS2EPHX2CYP2C9PTGS1 | |
| SCHEMBL24393661 | 0.76 | PTGS2 (0.58) | PTGS2PTGS1CHRNA7 | |
| SCHEMBL3228184 | 0.75 | ALOX5 (0.41) | ALOX5PTGS2EPHX2CYP2C9AKR1C3 | |
| SCHEMBL6441819 | 0.74 | ALOX5 (0.64) | ALOX5PTGS2EPHX2CYP2C9PTGS1 | |
| SCHEMBL8422021 | 0.74 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1PDPK1 |
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 |