Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 17/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4761081 | 0.85 | HDAC1 (0.39) | HDAC1HDAC6CXCR4CYP2D6CHRM2 | |
| SCHEMBL4759592 | 0.85 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL5112746 | 0.85 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL5103871 | 0.85 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL30834051 | 0.85 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL4711584 | 0.82 | HDAC1 (0.47) | HDAC1HDAC6CXCR4CYP2D6CHRM2 | |
| SCHEMBL5057520 | 0.82 | HDAC1 (0.46) | HDAC1HDAC6CXCR4CYP2D6OPRM1 | |
| SCHEMBL5106535 | 0.81 | CXCR4 (0.48) | HDAC1HDAC6CXCR4CYP2D6CHRM2 | |
| SCHEMBL4932583 | 0.81 | HDAC1 (0.56) | HDAC1HDAC6CXCR4CYP2D6CHRM2 | |
| SCHEMBL7074356 | 0.80 | CXCR4 (0.40) | HDAC1HDAC6CXCR4CYP2D6CHRM2 |
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 |