Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7149584 | 0.91 | CXCR4 (0.40) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL2082059 | 0.81 | CXCR4 (0.44) | CXCR4 | |
| SCHEMBL2082232 | 0.79 | CXCR4 (0.51) | CXCR4 | |
| SCHEMBL3377798 | 0.79 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL2509002 | 0.78 | CXCR4 (0.70) | CXCR4 | |
| SCHEMBL4715291 | 0.77 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL2083028 | 0.77 | CXCR4 (0.55) | CXCR4 | |
| SCHEMBL4033882 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL2084781 | 0.77 | CXCR4 (0.55) | CXCR4 | |
| SCHEMBL7024066 | 0.75 | CXCR4 (0.40) | CXCR4CYP3A4CYP2D6 |
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-1317451-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002034745-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-05-02 | — | — | WO | disclosed |