Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.56 |
| ▸ | CCL5 | P13501 | 10/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695417 | 0.93 | CCR5 (0.57) | CCR5CCL5KCNH2 | |
| Cyclohexane SCHEMBL4695443 | 0.88 | CCR5 (0.48) | CCR5CCL5KCNH2 | |
| Cyclopropane SCHEMBL4691469 | 0.88 | CCR5 (0.48) | CCR5CCL5KCNH2 | |
| SCHEMBL4691909 | 0.88 | CCR5 (0.48) | CCR5CCL5KCNH2 | |
| Cyclopentane SCHEMBL4696746 | 0.88 | CCR5 (0.48) | CCR5CCL5KCNH2 | |
| SCHEMBL4691038 | 0.87 | CCR5 (0.52) | CCR5CCL5KCNH2 | |
| SCHEMBL4691525 | 0.85 | CCR5 (0.49) | CCR5CCL5KCNH2 | |
| SCHEMBL4694499 | 0.84 | CCR5 (0.49) | CCR5CCL5KCNH2 | |
| SCHEMBL4696194 | 0.82 | CCR5 (0.51) | CCR5KCNH2 | |
| SCHEMBL4694005 | 0.80 | CCR5 (0.59) | CCR5CCL5 |
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 |