Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | CCR9 | P51686 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
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 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3635141 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL3034711 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3637150 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3017403 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3637633 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KCNH2GRM5 | |
| SCHEMBL1344905 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19MEP1BEPAS1 | |
| SCHEMBL3027563 | 0.80 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2EPAS1 | |
| SCHEMBL3033216 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL12135665 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A |
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 |