Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 16/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4879547 | 0.78 | CXCR4 (0.57) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL5485849 | 0.78 | CXCR4 (0.43) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL4884724 | 0.69 | CXCR4 (0.43) | CXCR4CYP2D6CHRM2KCNH2 | |
| SCHEMBL4882916 | 0.68 | CXCR4 (0.57) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL4882672 | 0.68 | HDAC1 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL4113740 | 0.68 | HDAC1 (0.48) | CXCR4CYP2D6 | |
| SCHEMBL20848115 | 0.67 | GAA (0.47) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL13069026 | 0.67 | GAA (0.47) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL2510199 | 0.65 | CXCR4 (0.43) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL2084443 | 0.64 | CXCR4 (0.50) | CXCR4CYP2D6CHRM2DRD2OPRM1 |
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-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | disclosed |