Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.47 |
| ▸ | NCOR1 | O75376 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28932098 | 0.89 | HDAC1 (0.58) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28699099 | 0.89 | HDAC1 (0.54) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28696687 | 0.89 | HDAC1 (0.54) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28931921 | 0.88 | HDAC1 (0.64) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28688143 | 0.87 | HDAC1 (0.52) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28674214 | 0.85 | HDAC1 (0.63) | HDAC1HDAC2HDAC3NCOR2MAPK1 | |
| SCHEMBL28932092 | 0.85 | HDAC1 (0.59) | HDAC1HDAC2HDAC3NCOR2MAPK1 | |
| SCHEMBL28677214 | 0.85 | HDAC1 (0.53) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28673092 | 0.84 | HDAC1 (0.67) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL28697606 | 0.84 | HDAC6 (0.52) | HDAC1HDAC2HDAC3HDAC6HDAC4 |
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-113956182-B | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-113956182-A | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2022-01-21 | — | — | CN | disclosed |