Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F
The experimentally established mechanism targets of Malonic Acid Diethyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | SI | P14410 | 1/20 | 0.58 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 6/20 | 0.36 |
| ▸ | TET3 | O43151 | 2/20 | 0.36 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
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 SCHEMBL29124821 | 0.85 | SMN1; SMN2 (0.54) | SMN1; SMN2MGAMGAASIMGAM2 | |
| SCHEMBL17132190 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2MGAMGAASIMGAM2 | |
| SCHEMBL17132189 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2MGAMGAASIMGAM2 | |
| SCHEMBL305092 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2MGAMGAASIMGAM2 | |
| Ammonia Solution, Strong SCHEMBL2558657 | 0.82 | SMN1; SMN2 (0.46) | SMN1; SMN2MGAMGAASIMGAM2 | |
| Malic Acid SCHEMBL2960357 | 0.79 | SMN1; SMN2 (0.68) | SMN1; SMN2TET2TET3TET1SLC22A6 | |
| Malic Acid SCHEMBL28768725 | 0.79 | SMN1; SMN2 (0.83) | SMN1; SMN2TET2TET3TET1SLC22A6 | |
| Malic Acid SCHEMBL5875082 | 0.77 | SMN1; SMN2 (0.71) | SMN1; SMN2TET2TET3TET1SLC22A6 | |
| Malic Acid SCHEMBL16783985 | 0.77 | SMN1; SMN2 (0.71) | SMN1; SMN2TET2TET3TET1SLC22A6 | |
| SCHEMBL305091 | 0.77 | SMN1; SMN2 (0.50) | SMN1; SMN2MGAMGAASIMGAM2 |
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-4298644-A | Extremely fine acrylic polymer fiber pile fabric and process for producing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-11-03 | — | — | US | disclosed |