Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 2/20 | 0.35 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL16942994 | 0.91 | CYP2C9 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16135264 | 0.88 | CYP3A4 (0.39) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL16135261 | 0.85 | CYP3A4 (0.40) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL16135243 | 0.84 | CYP3A4 (0.40) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL16142685 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14754196 | 0.82 | CYP3A4 (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL16142763 | 0.82 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16135262 | 0.82 | BTK (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16135269 | 0.81 | PROKR1 (0.41) | — | |
| SCHEMBL16135244 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 |