Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | EPAS1 | Q99814 | 13/20 | 0.41 |
| ▸ | VEGFA | P15692 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3022832 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3638581 | 0.89 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3034711 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3017403 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3027563 | 0.84 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3033216 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL3637217 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL1344824 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3022299 | 0.78 | GRM5 (0.42) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3029146 | 0.78 | CYP3A4 (0.47) | 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 |