Malic Acid

Malic Acid

SCHEMBL28219627

CCC(C(=O)O)N(C)C(=N)N.O=C(O)CC(O)C(=O)O

nearest known ligand 0.47

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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 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27683363 0.87 NOS3 (0.41) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL27671529 0.85 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL27875671 0.79 NOS3 (0.36) NOS3NOS1NOS2
Creatine SCHEMBL29400407 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NOS3NOS1NOS2TET2
Creatine SCHEMBL623785 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NOS3NOS1NOS2TET2
Creatine SCHEMBL29404550 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NOS3NOS1NOS2TET2
Malic Acid SCHEMBL8928445 0.75 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1
Malic Acid SCHEMBL5874761 0.73 SMN1; SMN2 (0.79) SMN1; SMN2TET2TET3TET1
Malic Acid SCHEMBL5874756 0.73 SMN1; SMN2 (0.79) SMN1; SMN2TET2TET3TET1
Malic Acid SCHEMBL19878636 0.71 SMN1; SMN2 (0.56) SMN1; SMN2TET2TET3TET1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108102813-A A kind of children wash one's hands cleaning material 孝感市锐思新材科技有限公司 2018-06-01 CN disclosed
CN-108102813-A A kind of children wash one's hands cleaning material 孝感市锐思新材科技有限公司 2018-06-01 CN disclosed