Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 7/20 | 0.33 |
| ▸ | DRD2 | P14416 | 6/20 | 0.33 |
| ▸ | HTR2A | P28223 | 6/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28568974 | 0.89 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576385 | 0.88 | HDAC6 (0.35) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28587599 | 0.87 | HDAC6 (0.42) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582693 | 0.86 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576387 | 0.86 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576560 | 0.86 | HDAC3 (0.34) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28573732 | 0.85 | ITK (0.36) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576561 | 0.85 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28587603 | 0.84 | HDAC3 (0.34) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28575703 | 0.84 | CCNA2 (0.39) | HDAC3HDAC4HDAC1HDAC2HDAC8 |
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 |