Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 17/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL19746631 | 0.89 | HDAC6 (0.53) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746416 | 0.89 | HDAC6 (0.65) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746384 | 0.88 | HDAC6 (0.54) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL22074666 | 0.85 | HDAC6 (0.49) | HDAC6HDAC1HDAC8HDAC4 | |
| SCHEMBL19746596 | 0.84 | HDAC6 (0.53) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19747045 | 0.84 | HDAC6 (0.60) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746606 | 0.84 | HDAC6 (0.48) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19747212 | 0.83 | HDAC6 (0.53) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746199 | 0.82 | HDAC6 (0.52) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL19746277 | 0.82 | HDAC6 (0.62) | 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 |