Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.48 |
| ▸ | BAZ2B | Q9UIF8 | 3/20 | 0.47 |
| ▸ | KRAS | P01116 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29690722 | 0.92 | HDAC1 (0.51) | HDAC6HDAC1PTGDR2SIRT2BAZ2B | |
| SCHEMBL29690867 | 0.87 | HDAC1 (0.48) | HDAC6HDAC1PTGDR2BAZ2BKRAS | |
| SCHEMBL15547688 | 0.79 | SIRT2 (0.58) | HDAC6HDAC1PTGDR2SIRT2SIRT1 | |
| SCHEMBL15548900 | 0.75 | SIRT2 (0.67) | HDAC6HDAC1SIRT2SIRT1 | |
| SCHEMBL15537063 | 0.73 | AKR1B10 (0.53) | HDAC6HDAC1PTGDR2SIRT2SIRT1 | |
| SCHEMBL12951763 | 0.72 | HDAC6 (0.77) | HDAC6HDAC1SIRT2SIRT1 | |
| SCHEMBL12805487 | 0.72 | HDAC6 (1.00) | HDAC6HDAC1 | |
| SCHEMBL28810829 | 0.71 | HDAC6 (0.68) | HDAC6HDAC1PTGDR2 | |
| SCHEMBL3084078 | 0.69 | PTGDR2 (1.00) | PTGDR2BAZ2B | |
| SCHEMBL28614892 | 0.69 | HDAC6 (0.62) | HDAC6HDAC1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114591323-A | Hydroxamic acid histone deacetylase inhibitor containing tetrahydrocarboline structure and preparation method and application thereof | 济南大学 | 2022-06-07 | — | — | CN | disclosed |