Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.48 |
| ▸ | BAZ2B | Q9UIF8 | 5/20 | 0.47 |
| ▸ | KRAS | P01116 | 4/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL29690722 | 0.90 | HDAC1 (0.51) | HDAC1HDAC6BAZ2BKRASPTGDR2 | |
| SCHEMBL29690705 | 0.87 | HDAC6 (0.55) | HDAC1HDAC6BAZ2BKRASPTGDR2 | |
| SCHEMBL28810878 | 0.80 | HDAC6 (0.63) | HDAC1HDAC6PTGDR2HDAC10HDAC8 | |
| SCHEMBL28606556 | 0.78 | HDAC6 (0.59) | HDAC1HDAC6PTGDR2HDAC10HDAC8 | |
| SCHEMBL15537063 | 0.71 | AKR1B10 (0.53) | HDAC1HDAC6BAZ2BKRASPTGDR2 | |
| SCHEMBL15547688 | 0.68 | SIRT2 (0.58) | HDAC1HDAC6BAZ2BKRASPTGDR2 | |
| SCHEMBL28607599 | 0.67 | PTGDR2 (0.62) | HDAC1HDAC6PTGDR2HDAC10HDAC8 | |
| SCHEMBL28614892 | 0.67 | HDAC6 (0.62) | HDAC1HDAC6PTGDR2HDAC10HDAC8 | |
| SCHEMBL12951763 | 0.67 | HDAC6 (0.77) | HDAC1HDAC6 | |
| SCHEMBL29608419 | 0.66 | HDAC6 (0.84) | HDAC1HDAC6BAZ2B |
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 |