Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CCR9 | P51686 | 1/20 | 0.34 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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) | CYP3A4CYP2C9CYP2C19EPAS1AR | |
| SCHEMBL3637217 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3036559 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1AR | |
| SCHEMBL3033710 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19EPAS1AR | |
| SCHEMBL3642358 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19EPAS1GRM5 | |
| SCHEMBL3637150 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1GRM5 | |
| SCHEMBL3638581 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19EPAS1GRM5 | |
| SCHEMBL13492198 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPAS1AR | |
| SCHEMBL3031268 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19EPAS1KCNH2 | |
| SCHEMBL3640707 | 0.79 | MAPT (0.44) | CYP3A4CYP2C9CYP2C19EPAS1 |
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 |