Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 15/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL5054298 | 0.87 | CXCR4 (0.47) | CXCR4HDAC1HDAC6CYP2D6DRD2 | |
| SCHEMBL5103791 | 0.85 | CXCR4 (0.42) | CXCR4HDAC1HDAC6 | |
| SCHEMBL2510498 | 0.82 | CXCR4 (0.51) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL5103868 | 0.80 | NPC1 (0.40) | CXCR4HDAC1HDAC6KCNH2CHRM2 | |
| SCHEMBL5112746 | 0.78 | CXCR4 (0.52) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL5103871 | 0.78 | CXCR4 (0.52) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL4759592 | 0.78 | CXCR4 (0.52) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL30834051 | 0.78 | CXCR4 (0.52) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL7068213 | 0.77 | CXCR4 (0.41) | CXCR4HDAC1HDAC6 | |
| SCHEMBL7074103 | 0.76 | HDAC1 (0.39) | CXCR4HDAC1HDAC6CYP2D6 |
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-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |