Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL428171 | 0.85 | TSHR (0.39) | ALDH1A1HSD17B10CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL242650 | 0.83 | RPS6KA3 (0.43) | ALDH1A1HSD17B10RPS6KA3GAAMAPT | |
| SCHEMBL7733315 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10AURKAAURKBGAA | |
| SCHEMBL8030690 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL11810695 | 0.80 | AURKA (0.42) | ALDH1A1HSD17B10NQO1AURKAAURKB | |
| SCHEMBL19730612 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL11764666 | 0.79 | RPS6KA3 (0.41) | ALDH1A1HSD17B10NQO1RPS6KA3AURKA | |
| SCHEMBL301470 | 0.79 | RPS6KA3 (0.41) | ALDH1A1HSD17B10RPS6KA3GAAESR1 | |
| SCHEMBL4991882 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HSD17B10AURKAAURKBGAA | |
| SCHEMBL8164868 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CSNK2A2CSNK2BCSNK2A1 |
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-105392776-A | Thio-salalen catalyst | EXXONMOBIL CHEMICAL PATENTS INC | 2016-03-09 | — | — | CN | disclosed |