Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4541280 | 0.82 | CCR3 (0.45) | CXCR4CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL2082385 | 0.78 | CXCR4 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL4039008 | 0.78 | LMNA (0.47) | POLB | |
| SCHEMBL2082182 | 0.77 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2081862 | 0.77 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL4030777 | 0.77 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL4039684 | 0.75 | CXCR4 (0.40) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2084715 | 0.75 | CXCR4 (0.40) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2082739 | 0.75 | CXCR4 (0.54) | SLC6A2SLC6A4SLC6A3CXCR4CYP2D6 | |
| SCHEMBL2084727 | 0.74 | 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 |