Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL19747204 | 0.90 | HDAC6 (0.47) | HDAC6HDAC4HDAC1HDAC8PIK3CD | |
| SCHEMBL19747203 | 0.90 | HDAC6 (0.47) | HDAC6HDAC4HDAC1HDAC8PIK3CD | |
| SCHEMBL19746855 | 0.84 | HDAC4 (0.52) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746361 | 0.83 | HDAC6 (0.46) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746759 | 0.80 | HDAC6 (0.44) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746256 | 0.79 | HDAC6 (0.43) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746096 | 0.79 | HDAC6 (0.47) | HDAC6HDAC4HDAC1HDAC8 | |
| SCHEMBL25124360 | 0.79 | HDAC6 (0.51) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746213 | 0.77 | HDAC4 (0.46) | HDAC6HDAC4HDAC1HDAC8HDAC5 | |
| SCHEMBL19746593 | 0.77 | HDAC6 (0.45) | HDAC6HDAC4HDAC1HDAC8 |
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 |