Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL13464774 | 0.84 | — | — | |
| SCHEMBL12101652 | 0.82 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914925 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914946 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914910 | 0.79 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14605891 | 0.78 | — | — | |
| SCHEMBL13575656 | 0.78 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13575652 | 0.78 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12513808 | 0.76 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914947 | 0.76 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012142080-A1 | THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-10-18 | — | — | WO | disclosed |
| WO-2012075235-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-07 | — | — | WO | disclosed |