Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 15/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | PYCR1 | P32322 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28688145 | 0.87 | HDAC6 (0.52) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL28690762 | 0.87 | HDAC1 (0.61) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL28697641 | 0.86 | HDAC6 (0.56) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL28690802 | 0.86 | HDAC6 (0.56) | HDAC6HDAC8HDAC1PYCR1HDAC3 | |
| SCHEMBL28699833 | 0.85 | CA1 (0.59) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL28697606 | 0.85 | HDAC6 (0.52) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL28696862 | 0.82 | HDAC6 (0.51) | HDAC6HDAC8HDAC1PYCR1HDAC3 | |
| SCHEMBL28696678 | 0.82 | HDAC6 (0.52) | HDAC6HDAC8HDAC1HDAC11PYCR1 | |
| SCHEMBL610837 | 0.81 | PYCR1 (0.72) | HDAC6HDAC8HDAC1PYCR1 | |
| SCHEMBL28673090 | 0.81 | HDAC6 (0.50) | HDAC6HDAC8HDAC1PYCR1HDAC3 |
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 |