Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.51 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3842942 | 0.91 | PTGS2 (0.61) | PTGS2PPARGPPARAKDM4EMEN1 | |
| SCHEMBL7998381 | 0.89 | PTGS2 (0.50) | PTGS2PPARGPPARAKDM4EMEN1 | |
| SCHEMBL7996168 | 0.87 | PTGS2 (0.57) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7998114 | 0.86 | PTGS2 (0.56) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7996240 | 0.86 | PTGS2 (0.56) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL7984449 | 0.86 | PTGS2 (0.56) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL6534904 | 0.83 | PTGS2 (0.53) | PTGS2KDM4E | |
| SCHEMBL7998136 | 0.80 | PTGS2 (0.40) | PTGS2PPARGPPARAS1PR1CYP3A4 | |
| SCHEMBL6535172 | 0.77 | PTGS2 (0.51) | PTGS2KDM4ECYP2C9 | |
| SCHEMBL6535031 | 0.76 | TSHR (0.43) | PTGS2PPARGPPARAKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |