Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | UCHL5 | Q9Y5K5 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30424907 | 0.88 | UCHL5 (0.51) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL25267677 | 0.88 | UCHL5 (0.51) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL26226636 | 0.86 | CYP3A4 (0.52) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL25262079 | 0.86 | HDAC6 (0.47) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL30425231 | 0.85 | HDAC6 (0.46) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL25252848 | 0.85 | HDAC6 (0.46) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL25254596 | 0.83 | KDM4E (0.45) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL29022633 | 0.83 | HDAC6 (0.44) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL30424957 | 0.83 | KDM4E (0.45) | HDAC6HDAC1HDAC3HDAC2HDAC10 | |
| SCHEMBL25385557 | 0.83 | HDAC6 (0.41) | HDAC6HDAC1HDAC3HDAC2HDAC10 |
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-116157398-A | 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy | 意大发马克股份公司 | 2023-05-23 | — | — | CN | disclosed |