Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.50 |
| ▸ | BAZ2B | Q9UIF8 | 5/20 | 0.49 |
| ▸ | KRAS | P01116 | 3/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29690705 | 0.92 | HDAC6 (0.55) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL29690867 | 0.90 | HDAC1 (0.48) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL28614892 | 0.76 | HDAC6 (0.62) | HDAC1HDAC6PTGDR2 | |
| SCHEMBL3476875 | 0.73 | BAZ2B (0.50) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL15547688 | 0.72 | SIRT2 (0.58) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL28810878 | 0.69 | HDAC6 (0.63) | HDAC1HDAC6PTGDR2 | |
| SCHEMBL15537063 | 0.69 | AKR1B10 (0.53) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL12951763 | 0.69 | HDAC6 (0.77) | HDAC1HDAC6SIRT2 | |
| SCHEMBL3477166 | 0.68 | KRAS (0.55) | HDAC1HDAC6PTGDR2BAZ2BKRAS | |
| SCHEMBL16968492 | 0.68 | AKR1B10 (0.56) | HDAC1HDAC6PTGDR2BAZ2BKRAS |
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 |