Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 10/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17483928 | 0.90 | HDAC6 (0.64) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17483994 | 0.89 | HDAC6 (0.50) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17483993 | 0.83 | HDAC3 (0.47) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17484021 | 0.82 | HDAC1 (0.49) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17483919 | 0.82 | HDAC1 (0.49) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17484068 | 0.81 | HDAC1 (0.45) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL17483932 | 0.80 | HDAC1 (0.45) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL19666053 | 0.79 | HDAC6 (0.78) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL16653772 | 0.79 | HDAC6 (0.78) | HDAC6HDAC3HDAC1HDAC5HDAC8 | |
| SCHEMBL16653771 | 0.79 | HDAC6 (0.78) | HDAC6HDAC3HDAC1HDAC5HDAC8 |
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-2016018795-A1 | HISTONE DEACETYLASE INHIBITORS | THE GENERAL HOSPITAL CORPORATION (US) | 2016-02-04 | — | — | WO | disclosed |