Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441382 | 0.84 | POLB (0.36) | PTGDR2NR1H4 | |
| SCHEMBL6439532 | 0.78 | PTGDR2 (0.41) | PTGDR2PTGS2PTGS1 | |
| SCHEMBL6440845 | 0.74 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL6441366 | 0.74 | PTGS2 (0.39) | PTGDR2PTGS2 | |
| SCHEMBL6441425 | 0.73 | PTGS2 (0.46) | AKR1C3PTGS2 | |
| SCHEMBL6442807 | 0.73 | PTGS2 (0.43) | PTGDR2PTGS2PTGS1 | |
| SCHEMBL6438225 | 0.72 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL8766048 | 0.70 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL3864045 | 0.70 | EPHX2 (0.61) | AKR1C3PTGS2PTGS1 | |
| SCHEMBL8640384 | 0.70 | PTGS2 (0.45) | PTGDR2PTGS2PTGS1 |
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 |