Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 14/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19745960 | 0.86 | HDAC4 (0.54) | HDAC4HDAC6HDAC8HDAC1HDAC2 | |
| SCHEMBL4750138 | 0.82 | S1PR1 (0.56) | HDAC4ESR2 | |
| SCHEMBL4565400 | 0.81 | GPR119 (0.59) | HDAC4HDAC6ESR2NR1H2 | |
| SCHEMBL452004 | 0.80 | ESR2 (0.50) | HDAC4ESR2NR1H2 | |
| SCHEMBL29978077 | 0.80 | HDAC4 (0.53) | HDAC4HDAC6ESR2HDAC8HDAC1 | |
| SCHEMBL29978231 | 0.80 | HDAC4 (0.53) | HDAC4HDAC6ESR2HDAC8HDAC1 | |
| SCHEMBL31022135 | 0.79 | ESR2 (0.65) | ESR2NR1H2 | |
| SCHEMBL1199637 | 0.79 | ESR2 (0.65) | HDAC6ESR2HDAC8NR1H2 | |
| SCHEMBL29676944 | 0.79 | ESR2 (0.65) | HDAC6ESR2HDAC8NR1H2 | |
| SCHEMBL25574615 | 0.79 | ESR2 (0.58) | HDAC4ESR2HDAC1NR1H2 |
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-2017222950-A1 | 3-HETEROCYCLYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | claimed |