Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 17/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 17/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 16/20 | 1.00 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL30180388 | 1.00 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2ALDH1A1 | |
| SCHEMBL28970432 | 0.92 | HDAC3 (0.84) | HDAC3HDAC2HDAC1NCOR2ALDH1A1 | |
| SCHEMBL25003663 | 0.88 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL25003550 | 0.86 | HDAC2 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL25002625 | 0.86 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL25002549 | 0.86 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL25003415 | 0.85 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL25003402 | 0.84 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL28918328 | 0.81 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 | |
| SCHEMBL21435753 | 0.81 | HDAC3 (1.00) | HDAC3HDAC2HDAC1NCOR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115703736-A | Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof | 中国海洋大学 | 2023-02-17 | — | — | CN | claimed |
| CN-115703736-A | Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof | 中国海洋大学 | 2023-02-17 | — | — | CN | disclosed |
| WO-2023011416-A1 | MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR | 中国海洋大学 | 2023-02-09 | — | — | WO | disclosed |