Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713902 | 1.00 | CXCR4 (0.46) | CXCR4HDAC1HDAC6P2RY2TDP1 | |
| SCHEMBL2085172 | 0.85 | CXCR4 (0.52) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL31174256 | 0.84 | CXCR4 (0.53) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL31189926 | 0.84 | CXCR4 (0.53) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL30050175 | 0.84 | CXCR4 (0.53) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL3624643 | 0.84 | CXCR4 (0.53) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL4896375 | 0.83 | CXCR4 (0.53) | CXCR4HDAC1HDAC6TDP1 | |
| SCHEMBL5061643 | 0.79 | CXCR4 (0.47) | CXCR4HDAC1HDAC6 | |
| SCHEMBL5610989 | 0.79 | HDAC1 (0.48) | CXCR4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6018611 | 0.78 | CXCR4 (0.44) | CXCR4HDAC1HDAC6TDP1ITGAV |
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 |