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 | 0.41 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.41 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.34 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 SCHEMBL5678111 | 1.00 | SLC22A12 (0.43) | SLC22A12HTR2AHTR2CPTGER1AKR1B1 | |
| SCHEMBL905944 | 0.90 | HTR2A (0.48) | SLC22A12HTR2AHTR2CDPP7ADRA2A | |
| Fumaric Acid SCHEMBL5678027 | 0.86 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CLMNAPMP22 | |
| Fumaric Acid SCHEMBL5678044 | 0.86 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CLMNAPMP22 | |
| Fumaric Acid SCHEMBL7772315 | 0.84 | LMNA (0.48) | SLC22A12HTR2AHTR2CAKR1B1LMNA | |
| Fumaric Acid SCHEMBL5682008 | 0.84 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CAKR1B1LMNA | |
| Fumaric Acid SCHEMBL7779505 | 0.84 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CAKR1B1LMNA | |
| Fumaric Acid SCHEMBL5682025 | 0.84 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CAKR1B1LMNA | |
| Fumaric Acid SCHEMBL7772320 | 0.84 | LMNA (0.48) | SLC22A12HTR2AHTR2CAKR1B1LMNA | |
| Fumaric Acid SCHEMBL5678079 | 0.84 | LMNA (0.48) | SLC22A12HTR2AHTR2CAKR1B1LMNA |
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 |