Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL9914967 | 0.89 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15273581 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9281503 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9286310 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15273615 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914915 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL2629066 | 0.78 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914947 | 0.78 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14868026 | 0.77 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12151896 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 |
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 |