Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 10/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 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 | |
|---|---|---|---|---|
| SCHEMBL13982372 | 0.92 | PTGES (0.37) | PTGESCHRM4RORCWDR5ROCK2 | |
| SCHEMBL3029925 | 0.92 | CYP3A4 (0.43) | PTGESCHRM4RORCWDR5ROCK2 | |
| SCHEMBL13982340 | 0.91 | PTGES (0.35) | PTGESCYP3A4 | |
| SCHEMBL13982447 | 0.88 | PTGES (0.39) | PTGESRORC | |
| Trifluoroacetic Acid SCHEMBL13560564 | 0.87 | CYP3A4 (0.40) | PTGESRORCWDR5KDM4EMEN1 | |
| SCHEMBL13982463 | 0.87 | PTGES (0.38) | PTGESRORCROCK2ROCK1CYP3A4 | |
| SCHEMBL13982440 | 0.86 | PTGES (0.36) | PTGES | |
| SCHEMBL13982369 | 0.86 | RORC (0.35) | PTGESCHRM4RORCWDR5ROCK2 | |
| SCHEMBL13982357 | 0.86 | EPHX2 (0.32) | PTGESRORCROCK2ROCK1CYP3A4 | |
| SCHEMBL13982434 | 0.84 | PTGES (0.35) | PTGESALDH1A1KMT2ACYP3A4CYP2C9 |
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 2 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 |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |