Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4692393 | 0.95 | CCR5 (0.46) | CCR5KCNH2 | |
| SCHEMBL4691118 | 0.93 | CCR5 (0.45) | CCR5KCNH2 | |
| SCHEMBL4691209 | 0.92 | KCNH2 (0.44) | CCR5KCNH2 | |
| SCHEMBL4694240 | 0.90 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL4693494 | 0.89 | CCR5 (0.45) | CCR5KCNH2 | |
| SCHEMBL4694026 | 0.88 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL4694102 | 0.88 | KCNH2 (0.49) | CCR5KCNH2 | |
| SCHEMBL4745210 | 0.88 | CCR5 (0.53) | CCR5KCNH2 | |
| SCHEMBL4695092 | 0.88 | CCR5 (0.51) | CCR5KCNH2 | |
| SCHEMBL4693536 | 0.87 | CCR5 (0.51) | CCR5KCNH2 |
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 |