Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13909537 | 0.95 | CXCR4 (0.83) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL1878773 | 0.92 | CXCR4 (1.00) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL29823518 | 0.92 | CXCR4 (1.00) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL4068206 | 0.91 | CXCR4 (0.84) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| Bromide SCHEMBL4544117 | 0.91 | CXCR4 (0.98) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL4250741 | 0.91 | CXCR4 (0.81) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| Bromide SCHEMBL5140263 | 0.90 | CXCR4 (0.83) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL4070102 | 0.89 | CXCR4 (0.81) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL2507349 | 0.89 | CXCR4 (0.83) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL29823655 | 0.89 | CXCR4 (0.83) | CXCR4CYP2D6CYP3A4CHRM2DRD2 |
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-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | claimed |