Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.57 |
| ▸ | GSK3B | P49841 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | TEK | Q02763 | 3/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24216388 | 1.00 | HDAC6 (0.57) | HDAC6GSK3BROCK2CDC7ESRRG | |
| SCHEMBL30410493 | 0.87 | HDAC6 (0.52) | HDAC6HDAC1 | |
| SCHEMBL30408037 | 0.87 | HDAC6 (0.44) | HDAC6GSK3BROCK2PIM1AURKB | |
| SCHEMBL24216903 | 0.87 | HDAC6 (0.52) | HDAC6HDAC1 | |
| SCHEMBL24216015 | 0.87 | HDAC6 (0.44) | HDAC6GSK3BROCK2PIM1AURKB | |
| SCHEMBL24216855 | 0.85 | HDAC6 (0.54) | HDAC6GSK3BROCK2CDC7ESRRG | |
| SCHEMBL30408941 | 0.85 | HDAC6 (0.54) | HDAC6GSK3BROCK2CDC7ESRRG | |
| SCHEMBL25267369 | 0.84 | HDAC6 (0.53) | HDAC6GSK3BROCK2CDC7ESRRG | |
| SCHEMBL30425675 | 0.84 | HDAC6 (0.53) | HDAC6GSK3BROCK2CDC7ESRRG | |
| SCHEMBL24216864 | 0.83 | HDAC6 (0.52) | HDAC6KDRTEKHDAC1EPHB4 |
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-4185586-A1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Chong Kun Dang Pharmaceutical Corp. (KR) | 2023-05-31 | — | — | EP | disclosed |
| CN-116133658-A | Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same | 株式会社 钟根堂 | 2023-05-16 | — | — | CN | disclosed |