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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 10/20 | 0.74 |
| ▸ | KDR | P35968 | 3/20 | 0.74 |
| ▸ | AXL | P30530 | 9/20 | 0.59 |
| ▸ | MERTK | Q12866 | 3/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.59 |
| ▸ | FLT3 | P36888 | 2/20 | 0.59 |
| ▸ | FLT1 | P17948 | 2/20 | 0.59 |
| ▸ | AURKA | O14965 | 1/20 | 0.59 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ABL1 | P00519 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.59 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.59 |
| ▸ | LCK | P06239 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | LYN | P07948 | 1/20 | 0.59 |
| ▸ | RET | P07949 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | HCK | P08631 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742894 | 0.91 | MET (0.70) | METKDRAXLMERTKAURKB | |
| SCHEMBL29972991 | 0.91 | MET (0.70) | METKDRAXLMERTKAURKB | |
| SCHEMBL12807168 | 0.91 | MET (0.70) | METKDRAXLMERTKAURKB | |
| SCHEMBL29995716 | 0.86 | AXL (0.72) | METKDRAXLMERTKAURKB | |
| Cabozantinib SCHEMBL23528180 | 0.85 | MET (1.00) | METKDRAXLMERTKAURKB | |
| Cabozantinib SCHEMBL29881226 | 0.85 | MET (1.00) | METKDRAXLMERTKAURKB | |
| Cabozantinib SCHEMBL29375886 | 0.85 | MET (1.00) | METKDRAXLMERTKAURKB | |
| Cabozantinib SCHEMBL29350740 | 0.85 | MET (1.00) | METKDRAXLMERTKAURKB | |
| SCHEMBL28637610 | 0.84 | AXL (0.74) | METKDRAXLMERTKAURKB | |
| SCHEMBL31570685 | 0.83 | MET (0.67) | METKDRAXLMERTKAURKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2387563-B2 | MALATE SALT OF N- (4- { [ 6, 7-BIS (METHYLOXY) QUINOLIN-4-YL]OXY}PHENYL-N' - (4 -FLUOROPHENYL) CYCLOPROPANE-1,1-DICARBOXAMIDE, AND CRYSTALLINE FORMS THEREOF FOR THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2022-04-27 | — | — | EP | claimed |