Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.64 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.64 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.64 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.64 |
| ▸ | DRD1 known ✓ | P21728 | 2/20 | 0.64 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.64 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.64 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.64 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.64 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.64 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.64 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.64 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.64 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.64 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.64 |
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.64 |
| ▸ | DRD3 | P35462 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1610044 | 0.95 | TBXA2R (0.70) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL30669880 | 0.95 | TBXA2R (0.70) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| Benzene SCHEMBL7444141 | 0.95 | TBXA2R (0.70) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL16634960 | 0.95 | TBXA2R (0.70) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL34462108 | 0.95 | TBXA2R (0.70) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL2846047 | 0.88 | CYP3A4 (0.75) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL6299952 | 0.88 | CYP3A4 (0.75) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| Benzene SCHEMBL3268864 | 0.88 | ABCB11 (0.82) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL30471867 | 0.88 | ABCB11 (0.82) | TBXA2RADRA1ASLC6A3HTR1AADRA2A | |
| SCHEMBL3183503 | 0.88 | ABCB11 (0.82) | TBXA2RADRA1ASLC6A3HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058711-A1 | ISOLATION OF DIHYDROPYRIDINE DERIVATIVE AND PREPARATION SALTS THEREOF | EOS ECZACIBASI OZGUN KIMYASAL URUNLER SANAYI VE TICARET A.S. (TR) | 2004-07-15 | — | — | WO | disclosed |