Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 14/20 | 0.38 |
| ▸ | AURKA | O14965 | 9/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28915301 | 0.93 | HDAC3 (0.36) | IKBKBITKAURKALCKHDAC3 | |
| SCHEMBL28582707 | 0.92 | HDAC6 (0.44) | IKBKBHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28583307 | 0.91 | SMN1; SMN2 (0.37) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582772 | 0.88 | HDAC3 (0.37) | IKBKBHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28587596 | 0.87 | IKBKB (0.43) | IKBKBITKAURKALCKHDAC3 | |
| SCHEMBL28576372 | 0.85 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28580756 | 0.85 | HDAC3 (0.35) | IKBKBHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28579641 | 0.85 | IKBKB (0.41) | IKBKBHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28573732 | 0.83 | ITK (0.36) | ITKAURKALCKHDAC3HDAC4 | |
| SCHEMBL28568420 | 0.83 | HDAC3 (0.36) | IKBKBHDAC3HDAC4HDAC1HDAC2 |
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 |