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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.55 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.55 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 SCHEMBL9870199 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL9870510 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL9870515 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7428371 | 0.93 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7428380 | 0.93 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9090622 | 0.93 | CYP1A2 (0.62) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9587051 | 0.90 | CYP1A2 (0.61) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9088979 | 0.90 | CYP1A2 (0.57) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9585427 | 0.88 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9090028 | 0.88 | CYP1A2 (0.64) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C |
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-4997831-A | Antagonists of 5-hydroxytryptamine receptors | GLAXO GROUP LIMITED (GB) | 1991-03-05 | — | — | US | disclosed |