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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.56 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 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 SCHEMBL5682009 | 0.90 | ADORA2A (0.51) | ADORA2AADORA2BKMOSLC22A12 | |
| Ammonia Solution, Strong SCHEMBL905695 | 0.88 | ADORA2A (0.72) | ADORA2AADORA2BKMOSLC22A12KDM4C | |
| Fumaric Acid SCHEMBL5682180 | 0.80 | HTR2A (0.37) | ADORA2AADORA2BKMOSLC22A12 | |
| Fumaric Acid SCHEMBL5682166 | 0.80 | HTR2A (0.37) | ADORA2AADORA2BKMOSLC22A12 | |
| Fumaric Acid SCHEMBL5678103 | 0.78 | DYRK1A (0.49) | ADORA2AADORA2BKMOSLC22A12 | |
| Ammonia Solution, Strong SCHEMBL905953 | 0.77 | ADORA2A (0.64) | ADORA2AADORA2BKMOSLC22A12ESR1 | |
| Fumaric Acid SCHEMBL5678039 | 0.74 | SLC22A12 (0.47) | ADORA2AADORA2BKMOSLC22A12KDM4C | |
| SCHEMBL7778203 | 0.72 | ADORA2A (0.51) | ADORA2AADORA2BKMOSLC22A12ESR1 | |
| Fumaric Acid SCHEMBL5682016 | 0.72 | HTR2A (0.41) | KMOSLC22A12 | |
| Fumaric Acid SCHEMBL5682001 | 0.72 | HTR2A (0.41) | KMOSLC22A12 |
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-1129078-B1 | INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY | VERNALIS RES LTD (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-6552062-B1 | For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity | VERNALIS RESEARCH LIMITED (GB) | 2003-04-22 | — | — | US | disclosed |