Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8027729 | 0.92 | CCR5 (0.50) | CCR5 | |
| SCHEMBL8026049 | 0.89 | CCR5 (0.48) | CCR5 | |
| SCHEMBL8029411 | 0.89 | CCR5 (0.48) | CCR5 | |
| SCHEMBL8013477 | 0.87 | CCR5 (0.44) | CCR5 | |
| SCHEMBL7871152 | 0.85 | CCR5 (0.51) | CCR5 | |
| SCHEMBL7871238 | 0.83 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7872020 | 0.83 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7863001 | 0.81 | CCR5 (0.71) | CCR5 | |
| SCHEMBL7863002 | 0.81 | CCR5 (0.71) | CCR5 | |
| SCHEMBL7863126 | 0.81 | CCR5 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |