Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.57 |
| ▸ | PDE5A | O76074 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13865191 | 0.85 | MEN1 (0.46) | CYP2D6CYP1A2CYP3A4SCN8ATP53 | |
| SCHEMBL5558869 | 0.81 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865174 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865197 | 0.81 | CYP2D6 (0.55) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865216 | 0.80 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL3621787 | 0.79 | ALDH1A1 (0.67) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865182 | 0.79 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL5560789 | 0.77 | PDE5A (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865190 | 0.75 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SCN8APDE5A | |
| SCHEMBL13865175 | 0.74 | F2RL3 (0.63) | 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 |