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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2637916 | 0.91 | CHRNA7 (0.67) | CHRNA7CHRNA3CHRNB4HTR3AALDH1A1 | |
| Fumaric Acid SCHEMBL5218174 | 0.88 | CHRNA7 (0.65) | CHRNA7CHRNA3CHRNB4HTR3ATSHR | |
| Fumaric Acid SCHEMBL2113241 | 0.86 | CHRNA7 (0.65) | CHRNA7CHRNA3CHRNB4HTR3A | |
| Fumaric Acid SCHEMBL2112312 | 0.84 | CHRNA7 (0.54) | CHRNA7CHRNA3CHRNB4HTR3AALDH1A1 | |
| Fumaric Acid SCHEMBL2113253 | 0.84 | CHRNA7 (0.54) | CHRNA7CHRNA3CHRNB4HTR3AALDH1A1 | |
| Fumaric Acid SCHEMBL232167 | 0.84 | CHRNA7 (0.63) | CHRNA7CHRNA3CHRNB4HTR3A | |
| Fumaric Acid SCHEMBL2111723 | 0.83 | CHRNA7 (0.64) | CHRNA7CHRNA3CHRNB4HTR3AALDH1A1 | |
| Fumaric Acid SCHEMBL392434 | 0.83 | CHRNA7 (0.55) | CHRNA7CHRNA3CHRNB4ALDH1A1HPGD | |
| Fumaric Acid SCHEMBL391501 | 0.83 | CHRNA7 (0.55) | CHRNA7CHRNA3CHRNB4ALDH1A1HPGD | |
| Fumaric Acid SCHEMBL2112124 | 0.83 | CHRNA7 (0.55) | CHRNA7CHRNA3CHRNB4ALDH1A1CYP1A2 |
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-1785425-A2 | Novel 1,4-diazabicycloalkane derivatives, their preparation and use | NeuroSearch A/S (DK) | 2007-05-16 | — | — | EP | disclosed |