Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 19/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510199 | 0.90 | CXCR4 (0.43) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2508550 | 0.89 | CXCR4 (0.44) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509279 | 0.87 | CXCR4 (0.46) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5052793 | 0.85 | CXCR4 (0.41) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5112757 | 0.84 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509568 | 0.84 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4759597 | 0.84 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2504694 | 0.84 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5107261 | 0.84 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Bromide SCHEMBL16426469 | 0.83 | CXCR4 (0.57) | 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-1465889-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2017-03-22 | — | — | EP | claimed |