Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 20/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 16/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746460 | 0.93 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746870 | 0.87 | HDAC6 (0.48) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746485 | 0.84 | HDAC6 (0.52) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746092 | 0.84 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746418 | 0.83 | HDAC6 (0.57) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19745968 | 0.81 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746017 | 0.81 | HDAC6 (0.50) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746150 | 0.81 | MGLL (0.49) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19747081 | 0.80 | HDAC6 (0.61) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746127 | 0.80 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5HDAC4 |
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-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | claimed |