Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.47 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2861279 | 0.83 | AKR1C3 (0.50) | PTGS1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL2862135 | 0.79 | CYP2D6 (0.45) | CYP2D6CYP2C19CYP1A2ALDH1A1LMNA | |
| SCHEMBL2865476 | 0.77 | CYP3A4 (0.46) | PTGS1CYP2D6CYP2C19HPGDSLC5A1 | |
| SCHEMBL15225695 | 0.76 | PTGS1 (0.45) | PTGS2PTGS1CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL15225739 | 0.76 | PTGS1 (0.45) | PTGS2PTGS1CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL15225596 | 0.74 | CYP2D6 (0.41) | PTGS2PTGS1CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4252394 | 0.73 | PTGS2 (0.61) | PTGS2PTGS1CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL1456378 | 0.73 | HPGD (0.68) | PTGS2CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL15225595 | 0.73 | AKR1C3 (0.47) | PTGS1CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL12255059 | 0.73 | CYP3A4 (0.69) | PTGS2PTGS1CYP2D6CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1642880-B1 | HSP90 FAMILY PROTEIN INHIBITORS | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |