Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.78 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.46 |
| ▸ | SLC6A5 | Q9Y345 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL4682434 | 0.96 | CCR5 (0.85) | CCR5OPRM1OPRL1SLC6A9SLC6A5 | |
| SCHEMBL13544006 | 0.92 | CCR5 (0.92) | CCR5OPRM1OPRL1SLC6A9SLC6A5 | |
| SCHEMBL13544013 | 0.90 | CCR5 (0.66) | CCR5OPRM1OPRL1 | |
| SCHEMBL4679294 | 0.87 | CCR5 (0.68) | CCR5OPRM1OPRL1 | |
| SCHEMBL4686130 | 0.87 | CCR5 (1.00) | CCR5OPRM1OPRL1SLC6A9SLC6A5 | |
| SCHEMBL14144448 | 0.86 | CCR5 (0.64) | CCR5OPRM1OPRL1SLC6A9SLC6A5 | |
| SCHEMBL13544009 | 0.85 | CCR5 (0.85) | CCR5OPRM1OPRL1HTR1AOPRD1 | |
| SCHEMBL4685629 | 0.84 | CCR5 (0.64) | CCR5OPRM1OPRL1 | |
| SCHEMBL14144443 | 0.84 | CCR5 (0.62) | CCR5OPRM1OPRL1SLC6A9SLC6A5 | |
| SCHEMBL6170250 | 0.83 | CCR5 (0.63) | CCR5OPRM1OPRL1HTR1AOPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |