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 | 0.68 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.68 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.68 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.68 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | HTR3A | P46098 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CASP6 | P55212 | 1/20 | 0.67 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 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 SCHEMBL872 | 1.00 | KCNH2 (0.68) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Fumaric Acid SCHEMBL582 | 0.93 | KCNH2 (0.68) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Maleic Acid SCHEMBL581 | 0.93 | KCNH2 (0.68) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| SCHEMBL981 | 0.93 | KCNH2 (0.78) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Fumaric Acid SCHEMBL874 | 0.90 | KCNH2 (0.66) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Maleic Acid SCHEMBL873 | 0.90 | KCNH2 (0.66) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Alosetron SCHEMBL1045 | 0.90 | KCNH2 (0.85) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Alosetron SCHEMBL1046 | 0.90 | KCNH2 (0.85) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Maleic Acid SCHEMBL1086 | 0.89 | KCNH2 (0.65) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C | |
| Fumaric Acid SCHEMBL1087 | 0.89 | KCNH2 (0.65) | KCNH2HTR3ACYP1A2CYP3A4ADRA2C |
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-5360800-A | Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives | GLAXO GROUP LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| EP-0306323-A2 | Lactam derivatives | GLAXO GROUP LIMITED (GB) | 1989-03-08 | — | — | EP | disclosed |