Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.63 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28810829 | 0.84 | HDAC6 (0.68) | HDAC6HDAC1ENPP2PTGDR2HDAC3 | |
| SCHEMBL28606556 | 0.81 | HDAC6 (0.59) | HDAC6HDAC1PTGDR2HDAC3HDAC10 | |
| SCHEMBL29690867 | 0.80 | HDAC1 (0.48) | HDAC6HDAC1PTGDR2HDAC10HDAC8 | |
| SCHEMBL1080466 | 0.78 | HDAC6 (1.00) | HDAC6HDAC1ENPP2HDAC3HDAC2 | |
| SCHEMBL28810472 | 0.77 | HDAC6 (0.71) | HDAC6HDAC1ENPP2PTGDR2HDAC10 | |
| SCHEMBL14891051 | 0.75 | ENPP2 (0.78) | ENPP2PTGDR2 | |
| SCHEMBL14891392 | 0.74 | ENPP2 (0.64) | HDAC6HDAC1ENPP2PTGDR2 | |
| SCHEMBL8252701 | 0.74 | HDAC6 (1.00) | HDAC6HDAC1 | |
| SCHEMBL14891182 | 0.74 | ENPP2 (0.79) | ENPP2PTGDR2 | |
| SCHEMBL14890973 | 0.73 | ENPP2 (0.98) | HDAC6HDAC1ENPP2PTGDR2 |
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 |