Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | CCL5 | P13501 | 14/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 10/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4690543 | 0.89 | CCR5 (0.46) | CCL5ALDH1A1CCR5 | |
| SCHEMBL4690462 | 0.81 | MEN1 (0.46) | CCL5ALDH1A1CCR5 | |
| SCHEMBL4690501 | 0.81 | TSHR (0.49) | CCL5ALDH1A1HTTCCR5 | |
| SCHEMBL4695378 | 0.79 | CCL5 (0.52) | CCL5CCR5 | |
| SCHEMBL4693123 | 0.78 | CCR5 (0.50) | CCL5ALDH1A1CCR5 | |
| SCHEMBL4694172 | 0.78 | CCR5 (0.43) | CCL5CCR5 | |
| SCHEMBL4696493 | 0.77 | CCR5 (0.59) | CCL5CCR5 | |
| SCHEMBL4694458 | 0.77 | CCR5 (0.53) | CCL5CCR5 | |
| SCHEMBL3290682 | 0.77 | CCR5 (0.70) | CCL5CCR5 | |
| SCHEMBL4695158 | 0.77 | CCR5 (0.55) | CCL5CCR5 |
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 |