Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1608396 | 0.74 | APP (0.46) | HDAC6HDAC1HDAC5AXLCDK8 | |
| SCHEMBL4831501 | 0.74 | CDK8 (0.81) | AXLCDK8RIPK1PIK3CDPIK3CA | |
| SCHEMBL1607572 | 0.74 | APP (0.47) | AXLCDK8RIPK1PIK3CDPIK3CA | |
| SCHEMBL19745416 | 0.73 | HDAC4 (0.63) | HDAC6HDAC1HDAC4HDAC8 | |
| SCHEMBL31741405 | 0.73 | CDK8 (0.55) | AXLCDK8RIPK1PIK3CDPIK3CA | |
| SCHEMBL27943918 | 0.73 | PIK3CD (0.67) | AXLCDK8RIPK1PIK3CDPIK3CA | |
| SCHEMBL18824381 | 0.72 | HDAC4 (0.66) | HDAC6HDAC1HDAC4HDAC8 | |
| SCHEMBL1608526 | 0.72 | APP (0.51) | HDAC6HDAC1HDAC5AXLCDK8 | |
| SCHEMBL21052322 | 0.72 | HDAC6 (0.47) | HDAC6HDAC1HDAC5HDAC8 | |
| SCHEMBL22607317 | 0.72 | S1PR1 (0.48) | HDAC6HDAC1HDAC5HDAC8 |
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-2017222950-A1 | 3-HETEROCYCLYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | claimed |