Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147425 | 0.91 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4715291 | 0.78 | CXCR4 (0.51) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3374165 | 0.78 | CXCR4 (0.45) | CXCR4 | |
| SCHEMBL7024066 | 0.76 | CXCR4 (0.40) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL2085667 | 0.72 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4714233 | 0.71 | CXCR4 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL13124145 | 0.71 | CXCR4 (0.53) | CXCR4CYP3A4 | |
| SCHEMBL4713083 | 0.71 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL2082059 | 0.70 | CXCR4 (0.44) | CXCR4 | |
| SCHEMBL3375143 | 0.69 | CXCR4 (0.44) | CXCR4 |
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 |