Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 17/20 | 1.00 |
| ▸ | HDAC3 | O15379 | 16/20 | 1.00 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 1.00 |
| ▸ | NAMPT | P43490 | 3/20 | 0.85 |
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 | |
|---|---|---|---|---|
| SCHEMBL30180440 | 1.00 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25003420 | 0.92 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25002744 | 0.85 | HDAC2 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25002531 | 0.82 | HDAC1 (0.69) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL4276269 | 0.81 | HDAC1 (0.67) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL28961535 | 0.81 | HDAC3 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL28918520 | 0.81 | HDAC3 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25003660 | 0.81 | HDAC3 (0.73) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25002624 | 0.81 | HDAC3 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT | |
| SCHEMBL25002543 | 0.81 | HDAC3 (1.00) | HDAC1HDAC2HDAC3NCOR2NAMPT |
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-115703736-A | Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof | 中国海洋大学 | 2023-02-17 | — | — | CN | claimed |
| 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 |