Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16135264 | 0.96 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16135243 | 0.94 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16135262 | 0.88 | BTK (0.39) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16135269 | 0.88 | PROKR1 (0.41) | — | |
| SCHEMBL16135244 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13117259 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13117258 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13117193 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16135265 | 0.85 | GABRA1 (0.41) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13116857 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978763-B1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | VIIV HEALTHCARE UK (NO 5) LTD (GB) | 2018-03-07 | — | — | EP | disclosed |
| US-9586957-B2 | 2-keto amide derivatives as HIV attachment inhibitors | VIIV Healthcare UK (No.5) Limited (GB) | 2017-03-07 | — | — | US | disclosed |
| US-9586957-B2 | 2-keto amide derivatives as HIV attachment inhibitors | VIIV Healthcare UK (No.5) Limited (GB) | 2017-03-07 | — | — | US | disclosed |
| WO-2014160692-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |