Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702631 | 0.84 | GPR52 (0.47) | HDAC1HDAC8ALDH1A1HTTGPR52 | |
| SCHEMBL28583909 | 0.84 | HDAC1 (0.72) | HDAC1HDAC8ALDH1A1MAPTCYP2D6 | |
| SCHEMBL364290 | 0.78 | MAOB (0.52) | ALDH1A1SMN1; SMN2GPR52 | |
| SCHEMBL5471298 | 0.77 | PLA2G10 (0.66) | HDAC1HDAC8ALDH1A1MAPTHDAC6 | |
| SCHEMBL9219296 | 0.75 | ESR1 (0.48) | ALDH1A1KDM4E | |
| SCHEMBL31454334 | 0.74 | HDAC6 (0.74) | HDAC1HDAC8ALDH1A1MAPTHDAC6 | |
| SCHEMBL10582013 | 0.72 | TSHR (0.47) | ALDH1A1MAPTCYP2D6NPC1CYP3A4 | |
| Benzoic Acid Hydrazide SCHEMBL83514 | 0.72 | CYP3A4 (0.62) | HDAC1HDAC8ALDH1A1MAPTCYP2D6 | |
| Benzoic Acid Hydrazide SCHEMBL4515671 | 0.72 | CYP3A4 (0.62) | HDAC1HDAC8ALDH1A1MAPTCYP2D6 | |
| SCHEMBL20078583 | 0.72 | CYP3A4 (0.62) | HDAC1HDAC8ALDH1A1MAPTCYP2D6 |
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-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |