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 | |
|---|---|---|---|---|
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 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 SCHEMBL9877940 | 1.00 | CYP3A4 (0.35) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Maleic Acid SCHEMBL7433810 | 0.80 | KCNH2 (0.53) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Fumaric Acid SCHEMBL7433823 | 0.80 | KCNH2 (0.53) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Fumaric Acid SCHEMBL7441857 | 0.77 | HTR3A (0.55) | CYP3A4KCNH2CYP1A2HTR3EHTR3B | |
| Maleic Acid SCHEMBL7441851 | 0.77 | HTR3A (0.55) | CYP3A4KCNH2CYP1A2HTR3EHTR3B | |
| SCHEMBL29923562 | 0.68 | DRD3 (0.47) | CHRM2CHRM5CHRM1DRD2 | |
| SCHEMBL8962724 | 0.67 | CYP1A2 (0.63) | CYP3A4KCNH2CYP1A2HTR2BHTR3A | |
| Fumaric Acid SCHEMBL3926486 | 0.63 | KDM4E (0.50) | ALDH1A1MEN1KMT2A | |
| Fumaric Acid SCHEMBL3926480 | 0.63 | KDM4E (0.50) | ALDH1A1MEN1KMT2A | |
| (R)-Ondansetron SCHEMBL7172598 | 0.63 | CYP3A4 (0.85) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E |
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 |
|---|---|---|---|---|---|---|---|
| US-4985422-A | TRICYCLIC, IMIDAZOLE SUBSTITUTED, ANTAGONIST OF HYDROXYTRYPTAMINE RECEPTORS, PSYCHOTIC DISORDERS, SCHIZOPHRENIA | GLAXO GROUP LIMITED (GB) | 1991-01-15 | — | — | US | disclosed |