Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4170855 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL13875186 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL4173733 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL20482729 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL4181457 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL4170860 | 0.83 | PRCP (0.44) | CXCR4CYP2D6 | |
| SCHEMBL4173032 | 0.78 | PRCP (0.44) | CXCR4CYP2D6OPRM1CYP3A4 | |
| SCHEMBL4188457 | 0.78 | PRCP (0.44) | CXCR4CYP2D6OPRM1CYP3A4 | |
| SCHEMBL4173013 | 0.75 | CHRNB2 (0.43) | CXCR4CYP2D6 | |
| SCHEMBL4765323 | 0.73 | NPC1 (0.48) | — |
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-1853604-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006096444-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-09-14 | — | — | WO | disclosed |