Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4680501 | 0.84 | CCR5 (0.45) | OPRM1CCR5 | |
| SCHEMBL13543991 | 0.78 | CCR5 (0.43) | CCR5 | |
| SCHEMBL5510972 | 0.76 | CCR5 (0.44) | RORCOPRM1CCR5 | |
| SCHEMBL3984899 | 0.76 | OPRM1 (0.41) | RORCSLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL6173121 | 0.72 | CCR5 (0.53) | CCR5 | |
| SCHEMBL6170669 | 0.72 | CCR5 (0.73) | SLC6A3OPRM1CCR5 | |
| SCHEMBL4683352 | 0.70 | SIGMAR1 (0.47) | CCR5 | |
| SCHEMBL14415552 | 0.70 | CCR5 (0.46) | RORCOPRM1CCR5 | |
| SCHEMBL13543990 | 0.69 | CCR5 (0.44) | CCR5 | |
| SCHEMBL3658892 | 0.69 | HRH3 (0.46) | KITMAPTMAPK1HTT |
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-1569933-A1 | PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS | SmithKline Beecham Corporation (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055016-A1 | PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |