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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 6/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.50 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.50 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.49 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9809464 | 0.94 | CHRM3 (0.55) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL9809567 | 0.94 | CHRM3 (0.55) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL7913118 | 0.94 | CHRM3 (0.55) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL9618849 | 0.92 | ALDH1A1 (0.54) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL7650415 | 0.90 | CHRM3 (0.51) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9809457 | 0.89 | MEN1 (0.52) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL9809574 | 0.88 | CHRM3 (0.47) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| Water SCHEMBL9618799 | 0.87 | CHRM3 (0.54) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL9809558 | 0.86 | CHRM3 (0.55) | CHRM2CHRM1CHRM3KCNH2CYP2C19 | |
| SCHEMBL9809560 | 0.85 | CHRM3 (0.53) | CHRM2CHRM1CHRM3KCNH2CYP2C19 |
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-5036107-A | Treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1991-07-30 | — | — | US | disclosed |