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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7932968 | 0.89 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| Hydrochloric Acid SCHEMBL8926109 | 0.87 | CYP3A4 (0.45) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| Malic Acid SCHEMBL8677684 | 0.82 | KMO (0.42) | KMOCYP26A1FFAR1SLC6A2SLC6A4 | |
| SCHEMBL7932061 | 0.78 | SLC6A2 (0.40) | CYP26A1SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL7741723 | 0.78 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| Hydrochloric Acid SCHEMBL7929518 | 0.77 | LMNA (0.47) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| SCHEMBL7932945 | 0.77 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| SCHEMBL13524865 | 0.72 | GABBR2 (0.58) | CYP26A1FFAR1LMNATSHRCYP3A4 | |
| SCHEMBL10614459 | 0.71 | ADRB1 (0.61) | SLC6A2SLC6A4SLC6A3LMNAADRB2 | |
| SCHEMBL28320405 | 0.70 | ADRB2 (0.67) | SLC6A2SLC6A4SLC6A3LMNAADRB2 |
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-6268397-B1 | ALPHA-(1-ADAMANTYLAMINOMETHYL)3,4-DICHLOROBENZYL)THIOACETAMID E AND ITS ISOMERS, AS WELL AS THE ADDITION SALTS OF THESE COMPOUNDS | LABORATOIRE. L. LAFON (FR) | 2001-07-31 | — | — | US | disclosed |