Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691611 | 0.93 | CCR5 (0.41) | CCR5SIGMAR1PKM | |
| SCHEMBL4692079 | 0.89 | CCR5 (0.44) | CCR5SIGMAR1MAPK1 | |
| SCHEMBL4696260 | 0.88 | CCR5 (0.40) | CCR5SIGMAR1ALDH1A1 | |
| SCHEMBL4690183 | 0.87 | CCR5 (0.43) | CCR5SIGMAR1MAPK1 | |
| SCHEMBL4691520 | 0.86 | CCR5 (0.42) | CCR5SIGMAR1MAPK1 | |
| SCHEMBL4694571 | 0.86 | CCR5 (0.41) | CCR5SIGMAR1ALDH1A1 | |
| SCHEMBL4695068 | 0.85 | CCR5 (0.44) | CCR5SIGMAR1MAPK1 | |
| SCHEMBL4692374 | 0.85 | CCR5 (0.41) | CCR5SIGMAR1ALDH1A1 | |
| SCHEMBL4692327 | 0.85 | CCR5 (0.49) | CCR5SIGMAR1 | |
| SCHEMBL4694166 | 0.85 | CCR5 (0.43) | CCR5SIGMAR1 |
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-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | 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 |