Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 14/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25161116 | 0.91 | HDAC2 (0.46) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL23517907 | 0.83 | HDAC2 (0.46) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL25161862 | 0.79 | HDAC2 (0.46) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL23517747 | 0.79 | SMN1; SMN2 (0.54) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL25161006 | 0.76 | HDAC2 (0.50) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL25161246 | 0.74 | HDAC2 (0.57) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL25161114 | 0.73 | HDAC2 (0.51) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL23517993 | 0.72 | HDAC2 (0.48) | HDAC2HDAC3KCNH2HDAC1CYP1A2 | |
| SCHEMBL23517830 | 0.72 | HDAC1 (0.51) | HDAC2HDAC3KCNH2HDAC1 | |
| SCHEMBL25161809 | 0.72 | HDAC2 (0.46) | HDAC2HDAC3KCNH2HDAC1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021117759-A1 | HISTONE DEACETYLASE INHIBITOR HAVING NITROGEN-CONTAINING AROMATIC HETEROCYCLIC GROUP | 塩野義製薬株式会社 | 2021-06-17 | — | — | WO | disclosed |