Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 18/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4692413 | 0.92 | HCRTR1 (0.53) | HCRTR1HCRTR2CCR5KCNH2PLA2G10 | |
| SCHEMBL5238954 | 0.88 | HCRTR1 (0.43) | HCRTR1HCRTR2CCR5PLA2G10 | |
| SCHEMBL5234579 | 0.87 | HCRTR1 (0.42) | HCRTR1HCRTR2KCNH2PLA2G10 | |
| SCHEMBL5231170 | 0.87 | HCRTR1 (0.52) | HCRTR1HCRTR2CCR5KCNH2PLA2G10 | |
| SCHEMBL5237249 | 0.87 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL5232235 | 0.86 | HCRTR2 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL5236364 | 0.86 | HCRTR1 (0.47) | HCRTR1HCRTR2CCR5KCNH2PLA2G10 | |
| SCHEMBL5231862 | 0.86 | HCRTR1 (0.43) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4699432 | 0.85 | CCL5 (0.44) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4697960 | 0.85 | CCR5 (0.44) | HCRTR1HCRTR2CCR5KCNH2PLA2G10 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |