Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3202045 | 0.84 | CXCR4 (0.80) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL3375593 | 0.82 | CXCR4 (0.47) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4761016 | 0.78 | CXCR4 (0.79) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2504776 | 0.77 | CXCR4 (0.86) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL3376507 | 0.77 | CXCR4 (0.62) | CXCR4 | |
| SCHEMBL29823350 | 0.76 | CXCR4 (0.57) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL1873561 | 0.76 | CXCR4 (0.57) | CXCR4CYP2D6CYP3A4 | |
| Bromide SCHEMBL4542743 | 0.75 | CXCR4 (0.56) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4061562 | 0.74 | CXCR4 (0.81) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL22894597 | 0.74 | CXCR4 (0.84) | CXCR4CHRM2CYP2D6DRD2OPRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1752455-B1 | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2010-11-10 | — | — | EP | claimed |