Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.69 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.69 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 SCHEMBL5492890 | 0.89 | LDHA (0.64) | LDHASRRCA5ACA5BPOLB | |
| Malonic Acid SCHEMBL28221810 | 0.83 | LDHA (1.00) | LDHASRRLMNAEGLN1ALKBH5 | |
| Malonic Acid SCHEMBL336 | 0.83 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.83 | — | — | |
| Malonic Acid SCHEMBL1332587 | 0.83 | — | — | |
| Malonic Acid SCHEMBL23831 | 0.83 | LDHA (1.00) | LDHASRRLMNAEGLN1ALKBH5 | |
| Malonic Acid SCHEMBL3358611 | 0.83 | — | — | |
| Malonic Acid SCHEMBL1332554 | 0.83 | — | — | |
| Malonic Acid SCHEMBL28896908 | 0.81 | LDHA (0.64) | LDHASRRCA5ACA5BPOLB | |
| Oxaloacetate SCHEMBL7050593 | 0.81 | LDHA (0.44) | LDHASRRCA5ACA5BPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109593032-A | A kind of co-production of malonic acid and sodium oxalate | 山西凯力德精细化学品科技有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-102249921-B | 2-(2,3-3,5-dimethylphenyl) diester malonate, Preparation Method And The Use | SHANGHAI SYNFARM PHARMACEUTICAL TECHNOLOGY CO.,LTD. (CN) | 2015-09-09 | — | — | CN | disclosed |