Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Malonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL28082544 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Malonic Acid SCHEMBL28082484 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Malonic Acid SCHEMBL28083149 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Malonic Acid SCHEMBL28082752 | 0.90 | ALDH1A1 (0.46) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Itaconate SCHEMBL28082974 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Acrylic Acid Methyl Ester SCHEMBL27449249 | 0.89 | ALDH1A1 (0.57) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Acrylic Acid Methyl Ester SCHEMBL4642932 | 0.89 | ALDH1A1 (0.57) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Acrylic Acid Methyl Ester SCHEMBL28066509 | 0.89 | ALDH1A1 (0.57) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Pimelic Acid SCHEMBL28082970 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Sebacic Acid SCHEMBL28082880 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TP53HIF1ACYP3A4MAPK1 |
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-105814092-A | Composition for hydrophilic cured product | 三井化学株式会社 | 2016-07-27 | — | — | CN | disclosed |