Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3032295 | 0.96 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL3017399 | 0.91 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL3022995 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL13560564 | 0.91 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL3025136 | 0.89 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL13560570 | 0.88 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| Trifluoroacetic Acid SCHEMBL3036142 | 0.87 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| SCHEMBL3023315 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| SCHEMBL3027058 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 | |
| SCHEMBL3029925 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19PTGESEPHX2 |
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 |