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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.35 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.33 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.33 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
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 SCHEMBL9657361 | 1.00 | HTR3A (0.50) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9657638 | 0.91 | HTR3E (0.49) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9657647 | 0.91 | HTR3E (0.49) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL8962967 | 0.83 | HTR3E (0.55) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL9657640 | 0.81 | HTR3A (0.48) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9656108 | 0.81 | HTR3E (0.47) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL9656084 | 0.81 | HTR3A (0.52) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9656121 | 0.81 | HTR3E (0.47) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9657342 | 0.81 | HTR3E (0.53) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9657347 | 0.81 | HTR3E (0.53) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |