Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883480 | 0.95 | CXCR4 (0.39) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4065479 | 0.86 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4061077 | 0.84 | CXCR4 (0.41) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL5053782 | 0.83 | CXCR4 (0.41) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4068353 | 0.83 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4062143 | 0.81 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL6883477 | 0.79 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4071527 | 0.77 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4062898 | 0.77 | CXCR4 (0.41) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4067405 | 0.77 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 |
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-1317443-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-01-14 | — | — | EP | disclosed |
| US-6835731-B2 | Viricides; antiinflammatory agents; antiallergens; antiarthritic agents | ANORMED, INC. (CA) | 2004-12-28 | — | — | US | disclosed |