Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877806 | 1.00 | HDAC6 (0.58) | HDAC6HDAC3HDAC2EPHX2MEN1 | |
| SCHEMBL29974201 | 0.86 | HDAC6 (0.63) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877732 | 0.86 | HDAC6 (0.63) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL29974051 | 0.83 | EPHX2 (0.53) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877809 | 0.83 | EPHX2 (0.53) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877800 | 0.82 | HDAC3 (0.56) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL29973909 | 0.82 | HDAC3 (0.56) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877682 | 0.79 | HDAC6 (0.59) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877738 | 0.78 | HDAC6 (0.61) | HDAC6HDAC3HDAC2EPHX2HDAC1 | |
| SCHEMBL28877783 | 0.77 | HDAC6 (0.59) | HDAC6HDAC3HDAC2HDAC1HDAC8 |
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-115141123-A | Compound, preparation method thereof and application thereof in preparation of histone deacetylase and epoxide hydrolase dual inhibitor | 沈阳药科大学 | 2022-10-04 | — | — | CN | disclosed |