Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.73 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | DRD2 | P14416 | 1/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510984 | 0.91 | CXCR4 (0.77) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2507183 | 0.90 | CXCR4 (0.74) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2507185 | 0.90 | CXCR4 (0.74) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4072678 | 0.89 | CXCR4 (0.78) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2511550 | 0.88 | CXCR4 (0.79) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4063211 | 0.88 | CXCR4 (0.69) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509542 | 0.87 | CXCR4 (0.77) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4070810 | 0.87 | CXCR4 (0.70) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509336 | 0.87 | CXCR4 (0.72) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2513493 | 0.86 | CXCR4 (0.79) | 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 |