Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.47 |
| ▸ | CCR5 | P51681 | 7/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.40 |
| ▸ | PRKX | P51817 | 2/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.37 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | PRKCG | P05129 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4690858 | 0.94 | CCR5 (0.48) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4691949 | 0.92 | UTS2R (0.49) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4694765 | 0.92 | CCR5 (0.44) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4694119 | 0.92 | CCR5 (0.41) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4690226 | 0.91 | CCR5 (0.46) | CCR5UTS2R | |
| SCHEMBL4696387 | 0.91 | CCR5 (0.47) | ROCK1ROCK2CCR5UTS2R | |
| SCHEMBL4690242 | 0.91 | CCR5 (0.43) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4691249 | 0.90 | CCR5 (0.44) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4694537 | 0.89 | CCR5 (0.44) | ROCK1ROCK2CCR5UTS2RDGAT2 | |
| SCHEMBL4694186 | 0.89 | CCR5 (0.42) | ROCK1ROCK2CCR5UTS2RDGAT2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |
| EP-1761542-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | claimed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |