Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 10/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28438034 | 0.91 | ALDH1A1 (0.55) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL3028387 | 0.84 | ALDH1A1 (0.59) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL29676455 | 0.84 | ALDH1A1 (0.59) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL7382420 | 0.82 | ALDH1A1 (0.49) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL7376961 | 0.82 | ALDH1A1 (0.49) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL7382246 | 0.82 | ALDH1A1 (0.49) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL3016247 | 0.81 | MAPK1 (0.70) | MAPK1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL294736 | 0.81 | MAPK1 (0.58) | MAPK1ALDH1A1CACNA1BKDM4EGAA | |
| SCHEMBL7384845 | 0.81 | ALDH1A1 (0.48) | MAPK1ALDH1A1CACNA1BCASP1KDM4E | |
| SCHEMBL3034308 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CASP1KDM4EGAAHPGD |
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-114516774-A | Preparation method of chiral bromo-1, 4-dihydropyridine compound | 中国科学院成都生物研究所 | 2022-05-20 | — | — | CN | disclosed |