Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 18/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7024066 | 0.79 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL7149584 | 0.78 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4714233 | 0.78 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL4761001 | 0.78 | CXCR4 (0.67) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL7147425 | 0.77 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4713083 | 0.77 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL30050660 | 0.76 | CXCR4 (0.71) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL5054280 | 0.74 | CXCR4 (0.54) | CXCR4 | |
| SCHEMBL30051306 | 0.74 | CXCR4 (0.62) | CXCR4 | |
| SCHEMBL2084215 | 0.73 | CXCR4 (0.55) | 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-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |