Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RPS6KA2 | Q15349 | 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 | |
|---|---|---|---|---|
| SCHEMBL22918274 | 1.00 | CASP3 (0.45) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL29486825 | 1.00 | CASP3 (0.45) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL31016830 | 0.81 | CASP3 (0.51) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL28703648 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL22918282 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL29486874 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL22918281 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL28703606 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL29486855 | 0.80 | CASP3 (0.42) | CASP3CA12CA9MAPK1ALDH1A1 | |
| SCHEMBL22918300 | 0.77 | PKM (0.39) | CASP3CA12CA9MAPK1ALDH1A1 |
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-114286816-A | Difluoro-halogenated allylamine sulfone derivative inhibitor of lysyl oxidase, preparation method and application thereof | 法玛西斯有限公司 | 2022-04-05 | — | — | CN | disclosed |