Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.56 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998114 | 1.00 | PTGS2 (0.56) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7996240 | 1.00 | PTGS2 (0.56) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7996168 | 0.99 | PTGS2 (0.57) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL3842942 | 0.95 | PTGS2 (0.61) | PTGS2PPARGPPARA | |
| SCHEMBL6534904 | 0.90 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL7994632 | 0.86 | PTGS2 (0.51) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7998381 | 0.85 | PTGS2 (0.50) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL6535172 | 0.84 | PTGS2 (0.51) | PTGS2CYP2C9 | |
| SCHEMBL7984443 | 0.84 | PTGS2 (0.58) | PTGS2PPARGPPARACYP3A4CYP2C9 | |
| SCHEMBL7996233 | 0.84 | PTGS2 (0.58) | PTGS2PPARGPPARACYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | claimed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |