Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.54 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.54 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.54 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1750702 | 0.94 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1751032 | 0.91 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1750235 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1749686 | 0.89 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1751493 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1750715 | 0.84 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1750233 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718396 | 0.82 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1751297 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718350 | 0.82 | CYP3A4 (0.65) | 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 |
|---|---|---|---|---|---|---|---|
| US-7968579-B2 | Antifungal triazole derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2011-06-28 | — | — | US | claimed |