Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9914927 | 0.90 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914923 | 0.87 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12101652 | 0.82 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12101629 | 0.81 | CYP2C9 (0.36) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14385656 | 0.80 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12513521 | 0.80 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14386385 | 0.79 | CYP2C9 (0.40) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14385717 | 0.77 | CYP2C9 (0.44) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15494335 | 0.75 | CYP2C9 (0.46) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914890 | 0.74 | CYP2D6 (0.75) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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 |