Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 9/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 16/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19746370 | 0.80 | HDAC6 (0.56) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746455 | 0.79 | HDAC6 (0.44) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19745972 | 0.79 | HDAC6 (0.43) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL31046614 | 0.79 | HDAC6 (0.44) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746235 | 0.79 | HDAC6 (0.45) | HDAC4HDAC6HDAC1HDAC8 | |
| SCHEMBL19746764 | 0.79 | HDAC6 (0.49) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746686 | 0.78 | HDAC4 (0.53) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746416 | 0.78 | HDAC6 (0.65) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746213 | 0.78 | HDAC4 (0.46) | HDAC4HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746253 | 0.78 | HDAC6 (0.53) | HDAC4HDAC6HDAC1HDAC8HDAC5 |
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 |