Malic Acid

Malic Acid

SCHEMBL5013575

O=C([O-])CC(O)C(=O)[O-].[Se+2]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SCSF1RDRD2FLT1FLT3FLT4HTR1BHTR1DHTR1FKDRKITMETOPRD1OPRK1OPRM1PDGFRAPDGFRBRET

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 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.94
CTSL P07711 1/20 0.46
CA2 P00918 1/20 0.43
SLC22A16 Q86VW1 1/20 0.42
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 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
Malic Acid SCHEMBL3593172 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL2784551 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL20994738 0.94
Malic Acid SCHEMBL162118 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL1093517 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL118155 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL21815132 0.94 CA4 (1.00) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL21815634 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL674137 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL18393648 0.94 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390511-B2 Compositions containing vitamin E and saw palmetto PROETHIC PHARMACEUTICALS, INC. (US) 2008-06-24 US disclosed
US-20080090297-A1 Methods for determining the metal bioavailability of metal sources NOVUS INTERNATIONAL INC. (US) 2008-04-17 US disclosed
US-20070172528-A1 Compositions containing vitamin E and saw palmetto PROETHIC PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-7186421-B2 Mineral additives for improved processing of compositions containing vitamin E and saw palmetto PROETHIC PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
WO-2007001506-A1 COMPOSITION AND METHOD OF PROTECTION AGAINST UV IRRADIATION PURE LABORATORIES, LLC (US) 2007-01-04 WO disclosed
US-20060292094-A1 Composition and method of protection against UV irradiation PURE LABORATORIES, LLC 2006-12-28 US disclosed
US-20060068038-A1 Mineral additives for improved processing of compositions containing vitamin E and saw palmetto PROETHIC LABORATORIES, L.L.C. (US) 2006-03-30 US disclosed
US-20060068037-A1 Admixing process for making compositions containing vitamin E and saw palmetto PROETHIC LABORATORIES, L.L.C. (US) 2006-03-30 US disclosed
US-20050191369-A1 Compositions comprising vitamin E and saw palmetto PROETHIC LABORATORIES, L.L.C. (US) 2005-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050191369-A1 Compositions comprising vitamin E and saw palmetto TTPA, GPX4, CYP24A1 CA4 4393/4885CTSL 1440/4885CA2 4777/4885
US-20070172528-A1 Compositions containing vitamin E and saw palmetto TTPA, CYP24A1, SOST CA4 4403/4885CTSL 1066/4885CA2 4413/4885
US-20060068037-A1 Admixing process for making compositions containing vitamin E and saw palmetto TTPA, GPX4, PNPO CA4 4297/4885CTSL 1845/4885CA2 4799/4885
US-20060068038-A1 Mineral additives for improved processing of compositions containing vitamin E and saw palmetto SOST, TTPA, CYP24A1 CA4 3751/4885CTSL 677/4885CA2 3830/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.