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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.65 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1753505 | 0.90 | CHRNA7 (0.78) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| Fumaric Acid SCHEMBL2111723 | 0.90 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| Fumaric Acid SCHEMBL2112312 | 0.88 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3HTR3AMAPK1 | |
| Fumaric Acid SCHEMBL2113253 | 0.88 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| Fumaric Acid SCHEMBL5220969 | 0.88 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3HTR3ATSHR | |
| SCHEMBL2638541 | 0.88 | CHRNA7 (0.78) | CHRNA7CHRNB4CHRNA3HTR3ABCHE | |
| Fumaric Acid SCHEMBL2113268 | 0.87 | CHRNA7 (0.60) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| Fumaric Acid SCHEMBL2112064 | 0.87 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3HTR3ABCHE | |
| Fumaric Acid SCHEMBL2114381 | 0.87 | CHRNA7 (0.51) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| Fumaric Acid SCHEMBL2113109 | 0.86 | CHRNA7 (0.53) | CHRNA7CHRNB4CHRNA3NPC1RAB9A |
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 |