Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 10/20 | 0.40 |
| ▸ | PPARA | Q07869 | 10/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8671819 | 0.93 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9230891 | 0.91 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9231999 | 0.91 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8051912 | 0.90 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8669563 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8670620 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8721337 | 0.82 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718814 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8053266 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7676079 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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-0659751-A1 | Optically active azole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-06-28 | — | — | EP | disclosed |