Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24012219 | 0.83 | HDAC6 (0.51) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL28464322 | 0.79 | HDAC6 (0.49) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL20635518 | 0.76 | HDAC6 (0.47) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL19162216 | 0.75 | HDAC6 (0.73) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL20629556 | 0.74 | TBXA2R (0.38) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL24012081 | 0.74 | HDAC6 (0.47) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL20605426 | 0.74 | HDAC6 (0.56) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL28476647 | 0.73 | ABCB1 (0.50) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL19168691 | 0.72 | HDAC1 (0.55) | HDAC6HDAC1HDAC2HDAC8HDAC10 | |
| SCHEMBL28473847 | 0.71 | ABCB1 (0.47) | HDAC6HDAC1HDAC2HDAC8HDAC10 |
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-2019007836-A1 | NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES | UNIVERSITÄT REGENSBURG (DE) | 2019-01-10 | — | — | WO | disclosed |