Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.42 |
| ▸ | CCL5 | P13501 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285409 | 0.90 | CCR5 (0.50) | CCR5HCRTR2HCRTR1CCL5 | |
| SCHEMBL3290678 | 0.90 | CCR5 (0.50) | CCR5HCRTR2HCRTR1CCL5 | |
| SCHEMBL4969362 | 0.87 | CCR5 (0.48) | CCR5HCRTR2HCRTR1CCL5KCNH2 | |
| SCHEMBL5525314 | 0.85 | CCR5 (0.39) | CCR5HCRTR2HCRTR1CCL5KCNH2 | |
| SCHEMBL4690418 | 0.85 | CCR5 (0.42) | CCR5HCRTR2HCRTR1KCNH2 | |
| SCHEMBL4693713 | 0.85 | CCR5 (0.49) | CCR5HCRTR2HCRTR1CCL5 | |
| SCHEMBL4696229 | 0.85 | CCR5 (0.42) | CCR5HCRTR2HCRTR1CCL5KCNH2 | |
| SCHEMBL4697962 | 0.82 | CCR5 (0.43) | CCR5HCRTR2HCRTR1CCL5KCNH2 | |
| SCHEMBL4693570 | 0.82 | CCR5 (0.52) | CCR5CCL5KCNH2 | |
| SCHEMBL3286468 | 0.82 | CCR5 (0.52) | CCR5CCL5KCNH2 |
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 |