Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MECP2 | P51608 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29973589 | 1.00 | HDAC1 (0.59) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL15441155 | 0.87 | HDAC1 (0.62) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL2598328 | 0.86 | HDAC1 (0.62) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL15441500 | 0.86 | HDAC1 (0.70) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL624171 | 0.85 | HDAC6 (0.64) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL15441216 | 0.84 | HDAC1 (0.56) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL28877751 | 0.80 | HDAC6 (0.81) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL14254963 | 0.80 | HDAC1 (0.79) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL15441085 | 0.78 | HDAC1 (0.65) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL15441122 | 0.77 | HDAC1 (0.66) | HDAC1HDAC6HDAC3HDAC2HDAC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115141123-B | Compound, preparation method thereof and application thereof in preparation of dual inhibitors of histone deacetylase and epoxide hydrolase | 沈阳药科大学 | 2024-05-17 | — | — | CN | disclosed |
| 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 |