Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL13982368 | 0.87 | AKR1B1 (0.39) | EPHX2P2RX7ROCK2ROCK1CARM1 | |
| SCHEMBL3806168 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3028560 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3034593 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3017381 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL13634086 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3796786 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3034861 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3035818 | 0.84 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2C19P2RX7ROCK2 | |
| SCHEMBL3016690 | 0.84 | CYP3A4 (0.44) | 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 5 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 |
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| 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 |