Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | EPAS1 | Q99814 | 16/20 | 0.46 |
| ▸ | VEGFA | P15692 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2393895 | 0.89 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3637633 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3036559 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3033710 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3031268 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3635141 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3033703 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3031434 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3017497 | 0.76 | GRM5 (0.44) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3025460 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |