Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2490578 | 1.00 | CHEK1 (0.42) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| Sulfuric Acid SCHEMBL3823397 | 0.94 | CHEK1 (0.44) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| Sulfuric Acid SCHEMBL30513696 | 0.94 | CHEK1 (0.44) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| Sulfuric Acid Dimethyl Ester SCHEMBL28991157 | 0.90 | CHEK1 (0.46) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL30222706 | 0.89 | CHEK1 (0.46) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL851557 | 0.89 | CHEK1 (0.46) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL29414570 | 0.85 | GAA (0.47) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL30823916 | 0.85 | GAA (0.47) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL196642 | 0.85 | GAA (0.47) | CHEK1KDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL28429972 | 0.82 | CHEK1 (0.43) | CHEK1KDM4EALDH1A1GAAPOLB |
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-119290864-A | Screening method of acetaldehyde dehydrogenase inhibitor | 宁夏医科大学 | 2025-01-10 | — | — | CN | disclosed |