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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 5/20 | 0.59 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
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 SCHEMBL106340 | 0.94 | — | — | |
| Malonic Acid SCHEMBL31665937 | 0.87 | CA4 (0.60) | CA4LDHASRRCASP1OR51E2 | |
| Malonic Acid SCHEMBL31665936 | 0.87 | CA4 (0.60) | CA4LDHASRRCASP1OR51E2 | |
| Malonic Acid SCHEMBL106382 | 0.87 | — | — | |
| Malonic Acid SCHEMBL107187 | 0.87 | — | — | |
| Malonic Acid SCHEMBL28291137 | 0.87 | CA4 (0.79) | CA4LDHASRRCASP1OR51E2 | |
| Malonic Acid SCHEMBL23581218 | 0.86 | CA4 (0.45) | CA4LDHASRROR51E2MAPK1 | |
| Malonic Acid SCHEMBL17338711 | 0.84 | CA4 (0.67) | CA4LDHASRRCASP1OR51E2 | |
| Malonic Acid SCHEMBL10391172 | 0.84 | LDHA (0.60) | CA4LDHASRRCASP1OR51E2 | |
| Malonic Acid SCHEMBL9571080 | 0.84 | — | — |
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-107431245-B | Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same | 斯泰拉化工公司 | 2021-08-10 | — | — | CN | disclosed |