Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.73 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.49 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170250 | 0.93 | CCR5 (0.63) | CCR5OPRM1OPRK1AVPR1AADORA3 | |
| SCHEMBL4740667 | 0.89 | CCR5 (0.80) | CCR5OPRM1OPRK1AVPR1AADORA3 | |
| SCHEMBL4683230 | 0.89 | CCR5 (0.75) | CCR5OPRM1OPRK1AVPR1AADORA3 | |
| SCHEMBL4686130 | 0.84 | CCR5 (1.00) | CCR5OPRM1OPRK1OPRL1SLC6A9 | |
| SCHEMBL4679383 | 0.83 | CCR5 (1.00) | CCR5OPRM1OPRK1AVPR1AADORA3 | |
| SCHEMBL6173121 | 0.82 | CCR5 (0.53) | CCR5 | |
| SCHEMBL4679294 | 0.81 | CCR5 (0.68) | CCR5OPRM1OPRL1 | |
| SCHEMBL4685629 | 0.81 | CCR5 (0.64) | CCR5OPRM1OPRL1 | |
| SCHEMBL13544006 | 0.81 | CCR5 (0.92) | CCR5OPRM1OPRK1OPRL1SLC6A9 | |
| SCHEMBL13544007 | 0.80 | CCR5 (1.00) | CCR5OPRM1OPRK1AVPR1AADORA3 |
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 |