Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.36 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31590949 | 0.84 | MARS1 (0.47) | ALDH1A1HPGDINSRCSNK1A1TYRO3 | |
| SCHEMBL31590862 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDBCAT2CSNK1A1TYRO3 | |
| SCHEMBL31590657 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HPGDBCAT2CSNK1A1TYRO3 | |
| SCHEMBL31590999 | 0.75 | HPGD (0.47) | ALDH1A1HPGDINSRALKBCAT2 | |
| SCHEMBL31590953 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HPGDBCAT2MAPK1MAPT | |
| SCHEMBL31590699 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HPGDINSRALKCSNK1A1 | |
| SCHEMBL31590964 | 0.73 | HPGD (0.40) | ALDH1A1HPGDBCAT2CSNK1A1TYRO3 | |
| SCHEMBL2656924 | 0.73 | BCAT2 (0.51) | ALDH1A1HPGDBCAT2CSNK1A1TYRO3 | |
| SCHEMBL31590854 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDPARP1MAPK1MAPT | |
| SCHEMBL31590602 | 0.71 | SPR (0.41) | ALDH1A1HPGD |
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-120040420-A | Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection | 中国医学科学院医药生物技术研究所 | 2025-05-27 | — | — | CN | disclosed |