Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.39 |
| ▸ | CCL5 | P13501 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696489 | 0.87 | CCR5 (0.42) | CCR5CCL5 | |
| SCHEMBL4693713 | 0.85 | CCR5 (0.49) | CCR5CCL5 | |
| SCHEMBL4690567 | 0.84 | CCR5 (0.51) | CCR5CCL5 | |
| SCHEMBL3285409 | 0.83 | CCR5 (0.50) | CCR5CCL5 | |
| SCHEMBL3290678 | 0.83 | CCR5 (0.50) | CCR5CCL5 | |
| SCHEMBL4692344 | 0.83 | CCR5 (0.41) | CCR5CCL5 | |
| SCHEMBL4693791 | 0.82 | CCR5 (0.42) | CCR5CCL5 | |
| SCHEMBL4693857 | 0.82 | CCR5 (0.38) | CCR5CCL5 | |
| SCHEMBL4697956 | 0.81 | CCR5 (0.48) | CCR5CCL5 | |
| SCHEMBL4691596 | 0.80 | CCR5 (0.41) | CCR5CCL5ALDH1A1 |
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 1 patent. 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 |