Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.44 |
| ▸ | CCL5 | P13501 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4690190 | 0.88 | POLB (0.49) | CCR5CCL5MAPK1KMT2A | |
| SCHEMBL4694237 | 0.85 | OPRM1 (0.47) | NPC1 | |
| SCHEMBL4693061 | 0.85 | CCR5 (0.51) | CCR5CCL5KMT2A | |
| Cyclopentane SCHEMBL4694510 | 0.83 | CCR5 (0.57) | CCR5 | |
| SCHEMBL4692082 | 0.83 | CCR5 (0.54) | CCR5CCL5KMT2A | |
| SCHEMBL4693210 | 0.83 | CCR5 (0.56) | CCR5CCL5 | |
| SCHEMBL4691540 | 0.82 | CCR5 (0.56) | CCR5CCL5 | |
| SCHEMBL4692852 | 0.80 | CCR5 (0.53) | CCR5CCL5KMT2A | |
| SCHEMBL4692783 | 0.80 | CCR5 (0.60) | CCR5CCL5KMT2A | |
| SCHEMBL4691437 | 0.78 | CCR5 (0.54) | 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 2 patents. 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 |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |