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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 3/20 | 0.67 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.67 |
| ▸ | HTR3B | O95264 | 2/20 | 0.67 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.67 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL7326640 | 1.00 | HTR3A (0.67) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7324761 | 0.87 | HTR3A (0.88) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7324754 | 0.87 | HTR3A (0.88) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7273099 | 0.85 | HTR3A (0.64) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7273105 | 0.85 | HTR3A (0.64) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7315554 | 0.84 | HTR3E (0.66) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7315564 | 0.84 | HTR3E (0.66) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7325601 | 0.84 | HTR3E (0.66) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7325596 | 0.84 | HTR3E (0.66) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7265600 | 0.83 | HTR3E (0.64) | HTR3AHTR3EHTR3BHTR3DHTR3C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4808581-A | ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1989-02-28 | — | — | US | disclosed |
| EP-0242973-A1 | Indole derivatives, method for their preparation and pharmaceutical compositions containing them | GLAXO GROUP LIMITED (GB) | 1987-10-28 | — | — | EP | disclosed |