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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Malic Acid SCHEMBL14125844 | 1.00 | SMN1; SMN2 (1.00) | — | |
| Malic Acid SCHEMBL29410671 | 1.00 | SMN1; SMN2 (1.00) | — | |
| Malic Acid SCHEMBL31673489 | 1.00 | — | — | |
| Malic Acid SCHEMBL98496 | 1.00 | — | — | |
| Malic Acid SCHEMBL856 | 1.00 | — | — | |
| Malic Acid SCHEMBL28355917 | 1.00 | SMN1; SMN2 (1.00) | — | |
| Malic Acid SCHEMBL31673494 | 1.00 | — | — | |
| Malic Acid SCHEMBL256122 | 1.00 | — | — | |
| Malic Acid SCHEMBL89131 | 1.00 | SMN1; SMN2 (1.00) | — | |
| Malic Acid SCHEMBL30036864 | 1.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11484608-B2 | Non-invasive assessment of hepatic mitochondrial metabolism by positional isotopomer NMR tracer analysis (PINTA) | YALE UNIVERSITY (US) | 2022-11-01 | — | — | US | disclosed |