Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9914973 | 0.83 | CYP3A4 (0.33) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914955 | 0.81 | CYP3A4 (0.33) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914943 | 0.81 | GRM5 (0.38) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914895 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL15273566 | 0.79 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914949 | 0.79 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914950 | 0.78 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914970 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914938 | 0.77 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914929 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012075235-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-07 | — | — | WO | disclosed |