Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.54 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.54 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.37 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | MUS81 | Q96NY9 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 SCHEMBL6605771 | 0.91 | HTR2A (0.54) | HTR2AHTR2CHTR2BGRM2SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL905803 | 0.89 | HTR2A (0.66) | HTR2AHTR2CHTR2BGRM2ROCK2 | |
| Fumaric Acid SCHEMBL6604968 | 0.84 | HTR2C (0.80) | HTR2AHTR2CHTR2BNTSR1 | |
| Fumaric Acid SCHEMBL6604972 | 0.84 | HTR2C (0.80) | HTR2AHTR2CHTR2BNTSR1 | |
| Fumaric Acid SCHEMBL6602844 | 0.79 | HTR2A (0.56) | HTR2AHTR2CHTR2BGRM2SLC6A2 | |
| Fumaric Acid SCHEMBL6607005 | 0.79 | DYRK1A (0.40) | HTR2AHTR2CHTR2BGRM2SLC6A2 | |
| Ammonia Solution, Strong SCHEMBL905906 | 0.78 | HTR2A (0.66) | HTR2AHTR2CHTR2BGRM2HTR1A | |
| Fumaric Acid SCHEMBL6607435 | 0.74 | HTR2C (0.80) | HTR2AHTR2CHTR2BNTSR1 | |
| Fumaric Acid SCHEMBL6605773 | 0.74 | HTR2C (0.80) | HTR2AHTR2CHTR2BNTSR1 | |
| SCHEMBL905799 | 0.70 | HTR2C (1.00) | HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1109809-B1 | PYRROLOQUINOLINES FOR TREATMENT OF OBESITY | CEREBRUS PHARM LTD (GB) | 2004-11-17 | — | — | EP | disclosed |
| US-6365598-B1 | FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA | VERNALIS RESEARCH LIMITED (GB) | 2002-04-02 | — | — | US | disclosed |