Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669241 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL30345075 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL26361635 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL626617 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL28227434 | 0.75 | MEN1 (0.54) | ALDH1A1PARK7TSHRPOLBMEN1 | |
| SCHEMBL28227507 | 0.75 | MAOA (0.49) | ALDH1A1PARK7ALOX5GALR3CA12 | |
| SCHEMBL4565781 | 0.75 | GAA (0.46) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL28779734 | 0.74 | PARK7 (0.42) | ALDH1A1PARK7LMNAHDAC3HDAC4 | |
| SCHEMBL7099245 | 0.73 | EGFR (0.40) | ALDH1A1LMNAMAPTPKMCASP3 | |
| SCHEMBL6586103 | 0.71 | GAA (0.43) | ALDH1A1LMNAMAPTPKMCASP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108299137-B | Selective fluorination method of isatin hydrazone compound | 中南大学 | 2020-04-14 | — | — | CN | disclosed |
| CN-108299137-A | A kind of isatin hydrazone compounds selective fluorination method | 中南大学 | 2018-07-20 | — | — | CN | disclosed |