Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 5/20 | 0.31 |
| ▸ | FNTB | P49356 | 5/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4166416 | 0.85 | CXCR4 (0.59) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4177280 | 0.84 | CXCR4 (0.47) | CXCR4CYP2D6FNTAFNTB | |
| SCHEMBL4181823 | 0.84 | CXCR4 (0.53) | CXCR4CYP2D6KCNH2CHRM5CHRM1 | |
| SCHEMBL13875189 | 0.72 | CXCR4 (0.41) | CXCR4CYP2D6FNTAFNTB | |
| SCHEMBL4185850 | 0.72 | CXCR4 (0.41) | CXCR4CYP2D6FNTAFNTB | |
| SCHEMBL4171448 | 0.72 | CXCR4 (0.41) | CXCR4CYP2D6FNTAFNTB | |
| SCHEMBL4171449 | 0.72 | CXCR4 (0.41) | CXCR4CYP2D6FNTAFNTB | |
| SCHEMBL4179325 | 0.71 | CXCR4 (0.51) | CXCR4CYP2D6KCNH2FNTAFNTB | |
| SCHEMBL13875218 | 0.71 | CXCR4 (0.51) | CXCR4CYP2D6KCNH2FNTAFNTB | |
| SCHEMBL4173707 | 0.71 | CXCR4 (0.51) | CXCR4CYP2D6KCNH2FNTAFNTB |
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 |