Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | ADH7 | P40394 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13921663 | 0.79 | APP (0.36) | HDAC1HDAC2HDAC3HDAC8HDAC6 | |
| SCHEMBL28569398 | 0.78 | GAA (0.34) | HDAC1HDAC2HDAC3HDAC8HDAC6 | |
| SCHEMBL13887515 | 0.77 | GRIN2D (0.43) | ALDH1A1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL28945868 | 0.77 | MAPT (0.42) | ALDH1A1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL10133361 | 0.76 | ALDH1A1 (0.52) | ALDH1A1GAAADH1BADH1CADH1A | |
| SCHEMBL1188674 | 0.73 | RAPGEF4 (0.49) | ALDH1A1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL6535170 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAAADH1BADH1CADH1A | |
| SCHEMBL19279237 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAAADH1BADH1CADH1A | |
| SCHEMBL14401880 | 0.73 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL4598099 | 0.73 | HTR6 (0.50) | ALDH1A1 |
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-109705095-B | Fused ring p-benzoquinone CDC25 protein phosphatase inhibitor containing triazole ring, and preparation method and application thereof | 山东大学 | 2021-06-08 | — | — | CN | disclosed |