Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 8/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3635551 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL13634087 | 0.92 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KCNH2PTGES | |
| SCHEMBL3034591 | 0.91 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3017009 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3017381 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| Trifluoroacetic Acid SCHEMBL3638789 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3802616 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3034619 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| SCHEMBL3027058 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 | |
| Trifluoroacetic Acid SCHEMBL13560638 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19KCNH2EPHX2 |
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 |