Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083508 | 0.78 | CXCR4 (0.37) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3263194 | 0.77 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL30096632 | 0.77 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL5054546 | 0.77 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL5054550 | 0.77 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| Hydrochloric Acid SCHEMBL18628724 | 0.76 | CXCR4 (0.47) | CXCR4CYP2D6 | |
| Bromide SCHEMBL18628756 | 0.76 | CXCR4 (0.47) | CXCR4CYP2D6 | |
| SCHEMBL4760298 | 0.74 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL4760832 | 0.71 | CXCR4 (0.44) | CXCR4CYP2D6 | |
| SCHEMBL2083361 | 0.71 | CXCR4 (0.39) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |