Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3314642 | 0.80 | CXCR4 (0.52) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL3312983 | 0.78 | CXCR4 (0.49) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL3314052 | 0.76 | IGF1R (0.46) | CXCR4CYP2D6 | |
| SCHEMBL27616525 | 0.75 | IGF1R (0.40) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL7839214 | 0.72 | KDM4E (0.44) | CXCR4CYP2D6 | |
| SCHEMBL3310571 | 0.70 | CXCR4 (0.46) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL14037800 | 0.70 | CXCR4 (0.46) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL30584967 | 0.70 | CXCR4 (0.46) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL2084964 | 0.68 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL31238644 | 0.68 | CXCR4 (0.43) | 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-1163238-A1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056729-A1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2000-09-28 | — | — | WO | disclosed |