Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 14/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 14/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5235460 | 0.76 | HCRTR1 (0.50) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4696789 | 0.74 | CCR5 (0.57) | HCRTR1HCRTR2KCNH2CCR5 | |
| SCHEMBL5234112 | 0.73 | HCRTR1 (0.43) | HCRTR1HCRTR2KCNH2CCR5 | |
| SCHEMBL4692413 | 0.72 | HCRTR1 (0.53) | HCRTR1HCRTR2KCNH2CCR5 | |
| SCHEMBL5232470 | 0.71 | CCR5 (0.54) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL5232895 | 0.71 | HCRTR1 (0.47) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL5231170 | 0.71 | HCRTR1 (0.52) | HCRTR1HCRTR2KCNH2CCR5 | |
| SCHEMBL3283305 | 0.70 | CCR5 (0.58) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL11774640 | 0.70 | HCRTR1 (0.58) | HCRTR1HCRTR2KCNH2CCR5 | |
| SCHEMBL3286248 | 0.70 | CHRNA4 (0.61) | HCRTR1HCRTR2 |
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 |