Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | PTGES | O14684 | 9/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3028560 | 0.92 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2GRM5 | |
| SCHEMBL13982124 | 0.89 | PTGES (0.33) | EPHX2PTGESP2RX7 | |
| SCHEMBL3036306 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3031620 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3034861 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2GRM5 | |
| SCHEMBL3036143 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL13217775 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3037554 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19EPHX2PTGES | |
| SCHEMBL3032445 | 0.84 | EPHX2 (0.37) | CYP3A4CYP2C9CYP2C19EPHX2GRM5 | |
| SCHEMBL3032999 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19EPHX2PTGES |
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 |