Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30992124 | 0.85 | HDAC6 (0.52) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL15678930 | 0.84 | HDAC6 (0.51) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL15678939 | 0.83 | MAPT (0.50) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL15678936 | 0.81 | RXFP1 (0.47) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL15678941 | 0.81 | RXFP1 (0.46) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL2783065 | 0.80 | ALDH1A1 (0.59) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL29724622 | 0.80 | ALDH1A1 (0.59) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL5208264 | 0.79 | MAPT (0.56) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL35211812 | 0.79 | MAPT (0.56) | HDAC6GAAHPGDMAPTRXFP1 | |
| SCHEMBL2783058 | 0.79 | OGFRL1 (0.56) | HDAC6GAAMAPTRXFP1TP53 |
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-108033922-B | Preparation method of 3-acyl quinoxalinone derivative | 河南工业大学 | 2020-11-06 | — | — | CN | disclosed |