Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL8378766 | 0.91 | KEAP1 (0.49) | KEAP1NFE2L2SNCACA1CA2 | |
| Glycolic Acid SCHEMBL8907068 | 0.88 | KEAP1 (0.49) | KEAP1NFE2L2SNCACA1CA2 | |
| Glycolic Acid SCHEMBL1872362 | 0.88 | KEAP1 (0.49) | KEAP1NFE2L2SNCACA1CA2 | |
| Propionic Acid SCHEMBL5147167 | 0.88 | KEAP1 (0.49) | KEAP1NFE2L2SNCACA1CA2 | |
| Bicarbonate SCHEMBL6755891 | 0.87 | SMN1; SMN2 (0.54) | KEAP1NFE2L2SNCACA1CA2 | |
| Hydrogen Peroxide SCHEMBL29268503 | 0.87 | SMN1; SMN2 (0.59) | SNCACA1CA2MMP1MMP2 | |
| Glycine SCHEMBL5685912 | 0.86 | CYP2C9 (0.51) | KEAP1NFE2L2SNCACA1CA2 | |
| Chloroacetic Acid SCHEMBL26114517 | 0.86 | YAP1 (0.48) | KEAP1NFE2L2SNCACA1CA2 | |
| Succinic Acid SCHEMBL27928188 | 0.86 | KMT2A (0.53) | KEAP1NFE2L2SNCAALDH1A1LMNA | |
| Succinic Acid SCHEMBL11462893 | 0.86 | KMT2A (0.53) | KEAP1NFE2L2SNCAALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0083484-B1 | 1,1-ALKANEDIOL DICARBOXYLATE LINKED ANTIBACTERIAL AGENTS | PFIZER INC. (US) | 1986-02-19 | — | — | EP | disclosed |