Malic Acid

Malic Acid

SCHEMBL28533602

CCN(CC)CCn1c(C)c(C(N)=O)c(C)c1/C=C1\C(=O)Nc2ccc(F)cc21.O=C(O)CC(O)C(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic 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)

geneUniProtsupporting neighboursconfidence
CACNA1F known ✓ O60840 1/20 0.48
DRD2 known ✓ P14416 1/20 0.48
CACNA1D known ✓ Q01668 1/20 0.48
CACNA1S known ✓ Q13698 1/20 0.48
CACNA1C known ✓ Q13936 1/20 0.48
KDR P35968 14/20 0.61
PDGFRB P09619 10/20 0.61
CSF1R P07333 3/20 0.61
ABCB11 O95342 2/20 0.61
KIT P10721 7/20 0.49
FLT3 P36888 6/20 0.48
PRKAA1 Q13131 5/20 0.48
PRKAA2 P54646 4/20 0.48
PLK4 O00444 2/20 0.48
DCLK1 O15075 2/20 0.48
PDPK1 O15530 2/20 0.48
DAPK3 O43293 2/20 0.48
ROCK2 O75116 2/20 0.48
RPS6KA5 O75582 2/20 0.48
RPS6KA4 O75676 2/20 0.48

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.

Compoundsimilaritytop predictedshared targets
Malic Acid SCHEMBL28533606 1.00 KDR (0.61) KDRPDGFRBCSF1RABCB11KIT
Malic Acid SCHEMBL29904180 1.00 KDR (0.61) KDRPDGFRBCSF1RABCB11KIT
SCHEMBL4566613 0.91 KDR (0.55) KDRPDGFRBCSF1RABCB11KIT
SCHEMBL28641704 0.91 KDR (0.55) KDRPDGFRBCSF1RABCB11KIT
SCHEMBL28900853 0.86 KDR (0.56) KDRPDGFRBCSF1RABCB11KIT
SCHEMBL16569734 0.78 FLT3 (0.52) KDRPDGFRBCSF1RABCB11KIT
Famitinib SCHEMBL154539 0.77 KDR (0.84) KDRPDGFRBCSF1RABCB11KIT
Famitinib SCHEMBL29361661 0.77 KDR (0.84) KDRPDGFRBCSF1RABCB11KIT
Famitinib SCHEMBL29361816 0.77 KDR (0.84) KDRPDGFRBCSF1RABCB11KIT
Famitinib SCHEMBL154540 0.77 KDR (0.84) KDRPDGFRBCSF1RABCB11KIT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117723665-A Detection method for sunitinib malate capsule related substances 山东百诺医药股份有限公司 2024-03-19 CN disclosed
CN-112451499-B Sunitinib malate preparation and preparation method thereof 江苏豪森药业集团有限公司 2022-03-29 CN disclosed
CN-112451499-A Sunitinib malate preparation and preparation method thereof 江苏豪森药业集团有限公司 2021-03-09 CN disclosed