Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 18/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4072212 | 0.94 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4064318 | 0.94 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4068353 | 0.89 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4067759 | 0.88 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4073524 | 0.86 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4063233 | 0.85 | CXCR4 (0.45) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4065267 | 0.85 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4065894 | 0.84 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4072439 | 0.84 | CXCR4 (0.47) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4248856 | 0.84 | CXCR4 (0.44) | 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 1 patent. 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 | claimed |