Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3444924 | 0.78 | EPHX1 (0.48) | — | |
| SCHEMBL6892536 | 0.78 | PRSS1 (0.53) | — | |
| SCHEMBL6919015 | 0.78 | HDAC6 (0.62) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL4828572 | 0.77 | HDAC6 (0.49) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL31424187 | 0.76 | HDAC6 (0.66) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL22608571 | 0.75 | HDAC6 (1.00) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL6896196 | 0.75 | EPHX1 (0.46) | — | |
| SCHEMBL4598021 | 0.73 | HDAC6 (0.49) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL3673435 | 0.73 | HDAC6 (0.75) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL27761203 | 0.73 | IDO1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116903581-A | SHP2/HDAC double-target inhibitor and preparation method and application thereof | 山东大学 | 2023-10-20 | — | — | CN | claimed |