Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 17/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7074716 | 0.84 | SLC40A1 (0.63) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| Bromide SCHEMBL7074322 | 0.84 | SLC40A1 (0.62) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL17969524 | 0.83 | CXCR4 (0.47) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4761648 | 0.83 | SLC40A1 (0.62) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL6886947 | 0.83 | SLC40A1 (0.62) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL5671385 | 0.83 | SLC40A1 (0.62) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL4760828 | 0.82 | SLC40A1 (0.59) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL3370850 | 0.82 | SLC40A1 (0.59) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL31257251 | 0.82 | SLC40A1 (0.59) | SLC40A1CXCR4CHRM2CYP2D6DRD2 | |
| SCHEMBL5106464 | 0.79 | SLC40A1 (0.57) | SLC40A1CXCR4CHRM2CYP2D6DRD2 |
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 |