Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13865196 | 0.84 | BUB1 (0.46) | CHRM1 | |
| SCHEMBL13865174 | 0.82 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865211 | 0.81 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL5558869 | 0.80 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865216 | 0.76 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865182 | 0.75 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865175 | 0.75 | F2RL3 (0.63) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865213 | 0.74 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865176 | 0.74 | PDE5A (0.62) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865190 | 0.74 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A |
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-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |