Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 13/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 3/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 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 | |
|---|---|---|---|---|
| SCHEMBL6018478 | 0.91 | CXCR4 (0.36) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018435 | 0.90 | HDAC1 (0.47) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6019179 | 0.87 | HDAC1 (0.55) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018159 | 0.84 | HDAC1 (0.41) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018125 | 0.83 | HDAC1 (0.40) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018210 | 0.82 | CXCR4 (0.39) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018202 | 0.79 | CXCR4 (0.47) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018347 | 0.78 | FOLH1 (0.37) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6990541 | 0.78 | FOLH1 (0.37) | HDAC1HDAC6CXCR4SLC40A1ITGAV | |
| SCHEMBL6018818 | 0.78 | FOLH1 (0.37) | HDAC1HDAC6CXCR4SLC40A1ITGAV |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1273571-A1 | NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME | Kureha Chemical Industry Co., Ltd. (JP) | 2003-01-08 | — | — | EP | disclosed |