Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694837 | 0.99 | CCR5 (0.47) | CCR5NPC1RAB9ASLC6A4SLC6A3 | |
| SCHEMBL4690437 | 0.96 | CCR5 (0.47) | CCR5SLC6A4SLC6A3 | |
| SCHEMBL4694442 | 0.92 | CCR5 (0.46) | CCR5NPC1RAB9A | |
| SCHEMBL4692079 | 0.88 | CCR5 (0.44) | CCR5 | |
| SCHEMBL4695068 | 0.88 | CCR5 (0.44) | CCR5 | |
| SCHEMBL4692327 | 0.88 | CCR5 (0.49) | CCR5 | |
| SCHEMBL4694166 | 0.88 | CCR5 (0.43) | CCR5 | |
| SCHEMBL4690139 | 0.87 | CCR5 (0.44) | CCR5 | |
| SCHEMBL4690226 | 0.87 | CCR5 (0.46) | CCR5 | |
| SCHEMBL4693112 | 0.87 | CCR5 (0.45) | CCR5 |
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 |