Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8539865 | 0.80 | POLB (0.49) | GAAMAPK1SMN1; SMN2POLBTSHR | |
| SCHEMBL30284468 | 0.74 | KDM4E (0.59) | GAAMAPK1SMN1; SMN2TSHRKDM4E | |
| SCHEMBL28468058 | 0.73 | PTK2 (0.44) | GAAMAPK1SMN1; SMN2POLBTSHR | |
| SCHEMBL30516956 | 0.72 | POLB (0.60) | GAAMAPK1SMN1; SMN2POLBKDM4E | |
| SCHEMBL8439313 | 0.72 | POLB (0.60) | GAAMAPK1SMN1; SMN2POLBKDM4E | |
| SCHEMBL28557365 | 0.72 | GAA (0.51) | GAAMAPK1SMN1; SMN2POLBL3MBTL1 | |
| SCHEMBL29962872 | 0.72 | GAA (0.51) | GAAMAPK1SMN1; SMN2POLBL3MBTL1 | |
| SCHEMBL28563507 | 0.71 | GAA (0.50) | GAAMAPK1SMN1; SMN2POLBTSHR | |
| SCHEMBL4781702 | 0.70 | SMN1; SMN2 (0.40) | GAASMN1; SMN2POLBTSHREP300 | |
| SCHEMBL30297960 | 0.69 | GAA (0.47) | GAAMAPK1SMN1; SMN2POLBTSHR |
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-109942542-B | Preparation method of 3- (1, 3-diene-2-yl) isoquinoline-1 (2H) -ketone compound | 南开大学 | 2021-05-07 | — | — | CN | disclosed |