Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 16/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 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 | |
|---|---|---|---|---|
| SCHEMBL19746208 | 0.86 | HDAC6 (0.48) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746606 | 0.86 | HDAC6 (0.48) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746874 | 0.85 | HDAC6 (0.48) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746347 | 0.85 | HDAC6 (0.50) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19747205 | 0.84 | HDAC6 (0.47) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746374 | 0.83 | HDAC6 (0.51) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746416 | 0.83 | HDAC6 (0.65) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746619 | 0.79 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746016 | 0.79 | HDAC6 (0.63) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19747212 | 0.78 | HDAC6 (0.53) | HDAC6HDAC1HDAC8HDAC5 |
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 |