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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 17/20 | 0.79 |
| ▸ | HTR2A known ✓ | P28223 | 14/20 | 0.79 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ICMT | O60725 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 SCHEMBL8959746 | 1.00 | HTR2C (0.79) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959552 | 1.00 | HTR2C (0.79) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL27352021 | 1.00 | HTR2C (0.79) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959757 | 1.00 | HTR2C (0.79) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959504 | 0.89 | HTR2C (1.00) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959894 | 0.89 | HTR2C (1.00) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959684 | 0.86 | HTR2C (0.56) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959703 | 0.86 | HTR2C (0.56) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959638 | 0.84 | HTR2C (0.54) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959509 | 0.83 | HTR2A (0.51) | HTR2CHTR2AICMT |
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-5494928-A | FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |