Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 13/20 | 0.44 |
| ▸ | CCL5 | P13501 | 3/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694458 | 0.89 | CCR5 (0.53) | CCR5CCL5CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4696366 | 0.89 | CCR5 (0.46) | KCNA5CCR5CCL5 | |
| SCHEMBL4694095 | 0.85 | CCR5 (0.51) | KCNA5CCR5CCL5 | |
| SCHEMBL4692349 | 0.83 | CCR5 (0.54) | CCR5CCL5 | |
| SCHEMBL4695293 | 0.83 | CCR5 (0.46) | ALDH1A1CCR5CCL5 | |
| SCHEMBL4695271 | 0.83 | LMNA (0.53) | CCR5CCL5CCR2 | |
| SCHEMBL4694257 | 0.83 | CCR5 (0.48) | CCR5CCL5 | |
| SCHEMBL4690556 | 0.81 | CCR5 (0.51) | CCR5CCL5 | |
| SCHEMBL4693578 | 0.80 | CCR5 (0.53) | ALDH1A1CCR5CCL5 | |
| SCHEMBL4693123 | 0.80 | CCR5 (0.50) | ALDH1A1CCR5CCL5 |
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 |