Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 2/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28628419 | 0.93 | TNKS (0.46) | FASNTNKSTNKS2PIK3CAQPCT | |
| SCHEMBL16211835 | 0.90 | HDAC1 (0.48) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL22218170 | 0.90 | TNKS (0.40) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL22218172 | 0.90 | TNKS (0.40) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL16211361 | 0.86 | TNKS (0.42) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL16211520 | 0.86 | TNKS (0.42) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL28641692 | 0.85 | CETP (0.43) | HDAC1HDAC6HDAC8NR1H4AR | |
| SCHEMBL16213193 | 0.85 | HDAC1 (0.48) | TNKSTNKS2HDAC1HDAC6HDAC8 | |
| SCHEMBL16211339 | 0.83 | TNKS (0.46) | FASNTNKSTNKS2HDAC1HDAC6 | |
| SCHEMBL22218669 | 0.82 | TNKS (0.45) | FASNTNKSTNKS2PIK3CAQPCT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137518-B | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2021-08-31 | — | — | CN | disclosed |