Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 11/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 11/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 11/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 11/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 11/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28583144 | 0.92 | HDAC6 (0.39) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28574761 | 0.89 | HDAC6 (0.41) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28579641 | 0.88 | IKBKB (0.41) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28583302 | 0.88 | HDAC6 (0.42) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28572153 | 0.86 | HDAC6 (0.39) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28583301 | 0.85 | HDAC3 (0.46) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28587596 | 0.83 | IKBKB (0.43) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28915297 | 0.83 | HDAC6 (0.37) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28579649 | 0.81 | IKBKB (0.44) | IKBKBHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL28582726 | 0.81 | 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 |