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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.35 |
| ▸ | TET3 | O43151 | 1/20 | 0.35 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Malic Acid SCHEMBL29711798 | 0.94 | THRB (0.54) | THRBSMN1; SMN2TSHRTET2TET3 | |
| Malic Acid SCHEMBL260319 | 0.91 | SMN1; SMN2 (0.48) | THRBSMN1; SMN2TSHRTET2TET3 | |
| Malic Acid SCHEMBL261732 | 0.85 | TSHR (0.46) | THRBSMN1; SMN2TSHRTET2TET3 | |
| SCHEMBL2809295 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| Di(Hydroxyethyl)Ether SCHEMBL18317889 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL2804854 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL629901 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| Tetraethylene Glycol SCHEMBL8659912 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL2367411 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL33376 | 0.83 | THRB (0.68) | THRBTSHRPOLBAPEX1HTT |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0416547-B1 | Dithiocarbamate group-containing polyester | MITSUBISHI CHEM CORP (JP) | 1995-08-09 | — | — | EP | disclosed |
| US-5097007-A | Produces free radicals to initiate copolymerization with ethylenic monomers; photoresists, photocurable inks/paints | MISTUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1992-03-17 | — | — | US | disclosed |
| EP-0416547-A2 | Dithiocarbamate group-containing polyester | Mitsubishi Chemical Corporation (JP) | 1991-03-13 | — | — | EP | disclosed |