Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 20/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 19/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746575 | 0.84 | HDAC6 (0.60) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746960 | 0.82 | HDAC6 (0.52) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746593 | 0.81 | HDAC6 (0.45) | HDAC6HDAC1HDAC8 | |
| SCHEMBL19746485 | 0.81 | HDAC6 (0.52) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746707 | 0.80 | HDAC6 (0.60) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746691 | 0.80 | HDAC6 (0.56) | HDAC6HDAC1HDAC8 | |
| SCHEMBL19747039 | 0.80 | HDAC6 (0.43) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746278 | 0.80 | HDAC6 (0.49) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL19746390 | 0.79 | HDAC6 (0.51) | HDAC6HDAC1HDAC8 | |
| SCHEMBL19747353 | 0.79 | HDAC6 (0.58) | HDAC6HDAC1HDAC8 |
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 |