Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 16/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.68 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL13036671 | 0.93 | CCR5 (0.81) | CCR5CHRM2CHRM1CHRM3 | |
| Vicriviroc SCHEMBL15375740 | 0.90 | CCR5 (1.00) | CCR5CHRM2CHRM1CHRM3 | |
| Vicriviroc SCHEMBL4638191 | 0.90 | CCR5 (1.00) | CCR5CHRM2CHRM1CHRM3 | |
| Vicriviroc SCHEMBL118885 | 0.90 | CCR5 (1.00) | CCR5CHRM2CHRM1CHRM3 | |
| Vicriviroc SCHEMBL4447817 | 0.90 | CCR5 (1.00) | CCR5CHRM2CHRM1CHRM3 | |
| SCHEMBL13484306 | 0.88 | CCR5 (0.84) | CCR5CHRM2CHRM1CHRM3 | |
| SCHEMBL14032029 | 0.87 | CCR5 (0.85) | CCR5CHRM2CHRM1CHRM3 | |
| Vicriviroc SCHEMBL29392831 | 0.86 | CCR5 (0.91) | CCR5CHRM2CHRM1CHRM3 | |
| SCHEMBL19656878 | 0.85 | CCR5 (0.91) | CCR5CHRM2CHRM1CHRM3 | |
| SCHEMBL13481919 | 0.85 | CCR5 (0.80) | CCR5CHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007050375-A2 | PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION (US) | 2007-05-03 | — | — | WO | disclosed |