Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 5/20 | 1.00 |
| ▸ | CASP3 | P42574 | 1/20 | 0.64 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.56 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.56 |
| ▸ | CTSA | P10619 | 3/20 | 0.49 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.49 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.49 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.46 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12190898 | 0.87 | XDH (0.77) | XDHCASP3MKNK1MKNK2CTSA | |
| SCHEMBL13702113 | 0.79 | XDH (0.66) | XDH | |
| SCHEMBL13932937 | 0.79 | XDH (0.64) | XDHCASP3 | |
| SCHEMBL21067401 | 0.78 | CASP3 (1.00) | XDHCASP3MKNK1MKNK2CTSA | |
| SCHEMBL17254443 | 0.78 | MKNK1 (0.68) | XDHMKNK1MKNK2CHEK1MAP4K4 | |
| SCHEMBL13761387 | 0.78 | MLYCD (0.61) | XDHIP6K1IP6K3IP6K2 | |
| SCHEMBL404158 | 0.77 | XDH (0.62) | XDHCASP3MKNK1MKNK2HDAC1 | |
| SCHEMBL12190842 | 0.77 | XDH (0.63) | XDHCASP3MKNK1MKNK2CTSA | |
| SCHEMBL28125163 | 0.77 | XDH (0.63) | XDHCASP3MKNK1MKNK2CHEK1 | |
| SCHEMBL28125494 | 0.76 | XDH (0.61) | XDHCASP3MKNK1MKNK2CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104262246-B | A kind of 5-phenyl nicotinamide Bcr-Abl inhibitor and its preparation method and application | Xi''an Jiao Tong University (CN) | 2017-01-04 | — | — | CN | disclosed |
| CN-104262246-A | 5-phenylnicotinamide Bcr-Abl inhibitors as well as preparation method and application thereof | UNIV XI AN JIAOTONG | 2015-01-07 | — | — | CN | disclosed |