Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695602 | 0.87 | CCR5 (0.52) | CCR5HCRTR1HCRTR2NLRP3KCNH2 | |
| SCHEMBL4691434 | 0.87 | CCR5 (0.45) | CCR5HCRTR1HCRTR2 | |
| Cyclopentane SCHEMBL4692454 | 0.80 | CCR5 (0.44) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4691528 | 0.80 | CCR5 (0.52) | CCR5 | |
| SCHEMBL4692633 | 0.78 | CCR5 (0.67) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4695603 | 0.76 | CCR5 (0.53) | CCR5HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4693043 | 0.76 | CCR5 (0.56) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4694000 | 0.75 | CCR5 (0.57) | CCR5 | |
| SCHEMBL3285363 | 0.75 | CCR5 (0.54) | CCR5 | |
| SCHEMBL4692636 | 0.74 | CCR5 (0.60) | CCR5HCRTR1HCRTR2 |
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 |