Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.41 |
| ▸ | CCL5 | P13501 | 7/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13404619 | 1.00 | CCR5 (0.41) | CCR5CCL5KCNH2CHRM2CHRM1 | |
| SCHEMBL13482015 | 0.85 | CCR5 (0.44) | CCR5CCL5CHRM2CHRM1CHRM3 | |
| SCHEMBL13481965 | 0.85 | CCR5 (0.44) | CCR5CCL5CHRM2CHRM1CHRM3 | |
| SCHEMBL13481497 | 0.85 | CCR5 (0.44) | CCR5CCL5CHRM2CHRM1CHRM3 | |
| SCHEMBL13481491 | 0.85 | CCR5 (0.44) | CCR5CCL5CHRM2CHRM1CHRM3 | |
| SCHEMBL13481544 | 0.78 | CCR5 (0.44) | CCR5CCL5KCNH2CHRM2CHRM1 | |
| SCHEMBL13294165 | 0.75 | CCR5 (0.56) | CCR5CCL5KCNH2CHRM2CHRM1 | |
| SCHEMBL13868793 | 0.75 | CCR5 (0.56) | CCR5CCL5KCNH2CHRM2CHRM1 | |
| SCHEMBL13442962 | 0.74 | CCR5 (0.54) | CCR5CCL5KCNH2CHRM2CHRM1 | |
| SCHEMBL13294131 | 0.74 | CCR5 (0.54) | CCR5CCL5KCNH2CHRM2CHRM1 |
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-7705019-B2 | Piperidinyl piperidine derivatives useful as inhibitors of chemokine receptors | SCHERING CORPORATION (US) | 2010-04-27 | — | — | US | disclosed |