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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.51 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.47 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 3/20 | 0.47 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.45 |
| ▸ | ADRB1 known ✓ | P08588 | 6/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | CASR | P41180 | 6/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10503937 | 0.95 | HTR1A (0.56) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10504063 | 0.93 | HTR1A (0.55) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10505858 | 0.86 | HTR1A (0.40) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10503983 | 0.85 | HTR1A (0.55) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10592061 | 0.83 | CASR (0.50) | CASRADRB2ADRB3MEN1KMT2A | |
| SCHEMBL10594588 | 0.83 | CYP2D6 (0.45) | CYP2D6CASRADRB2ADRB3MEN1 | |
| SCHEMBL10595580 | 0.82 | ADRB2 (0.41) | CASRADRB2ADRB3ADRB1 | |
| SCHEMBL10505383 | 0.81 | ADRB2 (0.42) | CASRADRB2ADRB3MEN1KMT2A | |
| SCHEMBL10594410 | 0.81 | ADRB2 (0.42) | CASRADRB2ADRB3MEN1KMT2A | |
| SCHEMBL10503090 | 0.81 | CASR (0.43) | HTR1AADRA2AADRA2BMAOAHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0200915-B1 | AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1989-09-27 | — | — | EP | claimed |