Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.44 |
| ▸ | CCL5 | P13501 | 10/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694692 | 0.95 | CCR5 (0.44) | CCR5CCL5KCNH2 | |
| SCHEMBL4691386 | 0.94 | KCNH2 (0.46) | CCR5CCL5KCNH2 | |
| SCHEMBL4692775 | 0.90 | CCR5 (0.49) | CCR5CCL5KCNH2 | |
| SCHEMBL4691675 | 0.89 | CCR5 (0.43) | CCR5CCL5KCNH2 | |
| SCHEMBL5529632 | 0.88 | KCNH2 (0.46) | CCR5CCL5KCNH2 | |
| SCHEMBL4693188 | 0.88 | CCR5 (0.46) | CCR5CCL5KCNH2 | |
| SCHEMBL4692184 | 0.87 | KCNH2 (0.42) | CCR5CCL5KCNH2 | |
| SCHEMBL4696270 | 0.87 | CCR5 (0.54) | CCR5CCL5KCNH2 | |
| SCHEMBL4695148 | 0.87 | CCR5 (0.45) | CCR5CCL5KCNH2 | |
| SCHEMBL4694547 | 0.87 | CCR5 (0.51) | CCR5CCL5KCNH2 |
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 |