Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 15/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4030780 | 0.92 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4 | |
| SCHEMBL4032809 | 0.91 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CXCR4 | |
| SCHEMBL4032061 | 0.89 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3NOS1NOS2 | |
| SCHEMBL4035549 | 0.85 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2082182 | 0.80 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2084150 | 0.79 | CXCR4 (0.38) | SLC6A2SLC6A4SLC6A3CXCR4NOS1 | |
| SCHEMBL4030779 | 0.78 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4 | |
| SCHEMBL4030777 | 0.77 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2083962 | 0.76 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CXCR4NOS1 | |
| SCHEMBL4039684 | 0.76 | CXCR4 (0.40) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |