Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CCL5 | P13501 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3272890 | 0.94 | CCR5 (0.61) | CCR5KCNH2CCL5 | |
| SCHEMBL3271647 | 0.92 | CCR5 (0.73) | CCR5KCNH2CCL5 | |
| SCHEMBL3271878 | 0.92 | CCR5 (0.73) | CCR5KCNH2CCL5 | |
| SCHEMBL3273291 | 0.91 | CCR5 (0.55) | CCR5 | |
| SCHEMBL3274758 | 0.90 | CCR5 (0.65) | CCR5KCNH2CCL5 | |
| SCHEMBL3274167 | 0.90 | CCR5 (0.74) | CCR5KCNH2CCL5 | |
| SCHEMBL3273124 | 0.90 | CCR5 (0.74) | CCR5KCNH2CCL5 | |
| SCHEMBL3276050 | 0.90 | CCR5 (0.60) | CCR5KCNH2CCL5 | |
| SCHEMBL3269914 | 0.89 | CCR5 (0.58) | CCR5KCNH2CCL5 | |
| SCHEMBL3272670 | 0.87 | CCR5 (0.57) | CCR5KCNH2CCL5 |
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-2066674-B1 | OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | claimed |