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 | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.48 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.48 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 SCHEMBL9346156 | 0.87 | MAPT (0.39) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL9345070 | 0.84 | ALDH1A1 (0.44) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL9344124 | 0.82 | CYP3A4 (0.44) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL9346169 | 0.78 | ITGB3 (0.42) | ALDH1A1CYP3A4HPGDTSHRGAA | |
| SCHEMBL9330164 | 0.78 | CHRM3 (0.46) | GAA | |
| Fumaric Acid SCHEMBL9344148 | 0.75 | FKBP1A (0.35) | SMN1; SMN2MAPTCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9349001 | 0.74 | GNAI3 (0.63) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL9345675 | 0.71 | KCNH2 (0.43) | GNAI3GNAO1GNAI1 | |
| Fumaric Acid SCHEMBL9795211 | 0.70 | ALOX15 (0.43) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| Fumaric Acid SCHEMBL9795340 | 0.70 | ALDH1A1 (0.43) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |