Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 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 | |
|---|---|---|---|---|
| SCHEMBL4695495 | 0.91 | KCNH2 (0.48) | CCR5KCNH2 | |
| SCHEMBL4695668 | 0.86 | CCR5 (0.45) | CCR5 | |
| SCHEMBL4695681 | 0.85 | CCR5 (0.48) | CCR5CHRM1CHRM3CHRM2CHRM5 | |
| SCHEMBL4691674 | 0.82 | CCR5 (0.45) | CCR5KCNH2 | |
| SCHEMBL4694499 | 0.81 | CCR5 (0.49) | CCR5KCNH2CHRM1CHRM3CHRM5 | |
| SCHEMBL4696701 | 0.81 | KCNH2 (0.51) | CCR5KCNH2 | |
| SCHEMBL4691462 | 0.81 | KCNH2 (0.51) | CCR5KCNH2 | |
| SCHEMBL4692545 | 0.81 | KCNH2 (0.51) | CCR5KCNH2 | |
| SCHEMBL4695298 | 0.80 | KCNH2 (0.47) | CCR5KCNH2 | |
| SCHEMBL4695636 | 0.79 | KCNH2 (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 |