Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 17/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 14/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 13/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20634806 | 0.86 | HDAC6 (0.70) | HDAC6HDAC2HDAC8HDAC1CHRM2 | |
| SCHEMBL20605315 | 0.86 | HDAC6 (0.62) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20605285 | 0.83 | HDAC6 (0.77) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20629250 | 0.81 | HDAC6 (0.57) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20628948 | 0.79 | HDAC6 (0.55) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20605229 | 0.75 | HDAC6 (0.56) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20628947 | 0.75 | HDAC6 (0.44) | HDAC6HDAC2HDAC8HDAC1CHRM2 | |
| SCHEMBL20629279 | 0.74 | HDAC6 (0.55) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL20605283 | 0.72 | HDAC6 (0.81) | HDAC6HDAC2HDAC8HDAC1HDAC10 | |
| SCHEMBL24011824 | 0.70 | HDAC6 (0.72) | HDAC6HDAC2HDAC8HDAC1HDAC10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3424925-A1 | NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES | Universität Regensburg (DE) | 2019-01-09 | — | — | EP | disclosed |