Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 17/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 16/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 16/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 16/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 16/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 16/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 16/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 16/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 16/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 16/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 16/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28570874 | 0.92 | IKBKB (0.44) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28587591 | 0.92 | HDAC3 (0.41) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28593735 | 0.90 | HDAC3 (0.45) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28587603 | 0.88 | HDAC3 (0.34) | HDAC6HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28572140 | 0.86 | HDAC6 (0.40) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28576327 | 0.83 | HDAC6 (0.39) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28915297 | 0.82 | HDAC6 (0.37) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28582726 | 0.82 | HDAC6 (0.38) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28587599 | 0.82 | HDAC6 (0.42) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28574534 | 0.80 | HDAC6 (0.38) | HDAC6HDAC3HDAC4HDAC1HDAC7 |
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-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | claimed |
| CN-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | disclosed |