Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 9/20 | 0.53 |
| ▸ | TACR1 | P25103 | 6/20 | 0.38 |
| ▸ | TACR2 | P21452 | 5/20 | 0.38 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL4683240 | 0.89 | CCR5 (0.54) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL13544017 | 0.86 | CCR5 (0.56) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL13544015 | 0.82 | CCR5 (0.71) | CCR5 | |
| SCHEMBL6170669 | 0.82 | CCR5 (0.73) | CCR5 | |
| SCHEMBL13544016 | 0.81 | CCR5 (0.62) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL6170250 | 0.76 | CCR5 (0.63) | CCR5 | |
| SCHEMBL6174943 | 0.72 | RORC (0.38) | CCR5 | |
| SCHEMBL4683230 | 0.70 | CCR5 (0.75) | CCR5 | |
| SCHEMBL4740667 | 0.70 | CCR5 (0.80) | CCR5 | |
| SCHEMBL4679383 | 0.69 | CCR5 (1.00) | CCR5 |
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 |