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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.59 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.46 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.42 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.42 |
| ▸ | DRD2 known ✓ | P14416 | 6/20 | 0.41 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 6/20 | 0.46 |
| ▸ | DRD3 | P35462 | 6/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7831420 | 0.79 | DRD2 (0.63) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL7817697 | 0.79 | ADRA1A (0.73) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL7824411 | 0.79 | ADRA1A (0.70) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL13809566 | 0.78 | ADRA1A (0.71) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| Maleic Acid SCHEMBL7816722 | 0.78 | ADRA1A (0.57) | ADRA1ADRD4HTR2ADRD2DRD3 | |
| Fumaric Acid SCHEMBL7816727 | 0.78 | ADRA1A (0.57) | ADRA1ADRD4HTR2ADRD2DRD3 | |
| SCHEMBL13809562 | 0.77 | ADRA1A (0.70) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL7830765 | 0.77 | ADRA1A (0.67) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL13809541 | 0.77 | ADRA1A (0.67) | ADRA1ADRD4HTR2AADRA1DADRA1B | |
| SCHEMBL13809559 | 0.76 | ADRA1A (0.69) | ADRA1ADRD4HTR2AADRA1DADRA1B |
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-0732332-B1 | Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation | AVENTIS PHARMA INC (US) | 2001-12-19 | — | — | EP | claimed |