Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 14/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3487757 | 0.76 | CCR2 (0.68) | CCR2RAB9AALDH1A1 | |
| SCHEMBL3241217 | 0.76 | CCR2 (0.68) | CCR2RAB9AALDH1A1 | |
| SCHEMBL319610 | 0.76 | CCR2 (0.68) | CCR2RAB9AALDH1A1 | |
| SCHEMBL6224010 | 0.75 | HTT (0.39) | ALDH1A1 | |
| SCHEMBL8317734 | 0.74 | CCR2 (0.69) | CCR2RAB9AALDH1A1 | |
| SCHEMBL3954242 | 0.74 | CCR2 (0.69) | CCR2RAB9AALDH1A1 | |
| SCHEMBL7973568 | 0.74 | CCR2 (0.66) | CCR2RAB9AALDH1A1 | |
| SCHEMBL7973572 | 0.74 | CCR2 (0.66) | CCR2RAB9AALDH1A1 | |
| SCHEMBL7238858 | 0.74 | CCR2 (0.71) | CCR2RAB9AALDH1A1 | |
| SCHEMBL8521203 | 0.74 | HTT (0.69) | ALDH1A1 |
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-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |