Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | VEGFA | P15692 | 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 | |
|---|---|---|---|---|
| SCHEMBL3035905 | 0.96 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HAO1EPHX2 | |
| SCHEMBL3023587 | 0.93 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL13560513 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3642680 | 0.92 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19HAO1EPHX2 | |
| SCHEMBL3027916 | 0.92 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3016733 | 0.92 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3028060 | 0.92 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL13217799 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3031440 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19EPHX2P2RX7 | |
| SCHEMBL3034173 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19HAO1EPHX2 |
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 |