Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 SCHEMBL9230408 | 1.00 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| SCHEMBL9230710 | 0.95 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL8715698 | 0.89 | CYP2C19 (0.49) | CYP2D6CYP2C19CYP3A4CYP1A2HTR1A | |
| Fumaric Acid SCHEMBL8715696 | 0.89 | CYP2C19 (0.49) | CYP2D6CYP2C19CYP3A4CYP1A2HTR1A | |
| Fumaric Acid SCHEMBL8714316 | 0.88 | CYP2C19 (0.47) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL8710922 | 0.88 | CYP2C19 (0.47) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL9230570 | 0.87 | CYP2D6 (0.48) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL9230577 | 0.87 | CYP2D6 (0.48) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL8712380 | 0.87 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL8712378 | 0.87 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP3A4KDM4ECYP1A2 |
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-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |