Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 6/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.54 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14783988 | 1.00 | HDAC3 (0.54) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL29590847 | 0.94 | HDAC3 (0.54) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL14783991 | 0.94 | HDAC3 (0.54) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL15689207 | 0.94 | HDAC3 (0.58) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL15688899 | 0.93 | HDAC3 (0.54) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL14783504 | 0.92 | HDAC3 (0.49) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL29590379 | 0.92 | HDAC3 (0.49) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL14783621 | 0.92 | CNR1 (0.56) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL29591331 | 0.92 | CNR1 (0.56) | HDAC3HDAC2CNR1MAPTTP53 | |
| SCHEMBL29590161 | 0.90 | HDAC3 (0.47) | HDAC3HDAC2CNR1MAPTTP53 |
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-115403531-A | Chemical entities, compositions, and methods as kinase inhibitors | 润新生物公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-108794411-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2022-06-07 | — | — | CN | disclosed |