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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 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 SCHEMBL2291366 | 0.96 | GAA (0.44) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2291945 | 0.95 | CHRNA7 (0.48) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2291947 | 0.95 | CHRNA7 (0.48) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| Fumaric Acid SCHEMBL2294897 | 0.94 | CHRNA7 (0.42) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| Fumaric Acid SCHEMBL2297059 | 0.92 | CHRNA7 (0.42) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2289647 | 0.91 | GAA (0.49) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2289644 | 0.91 | GAA (0.49) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2291959 | 0.88 | CHRNA7 (0.46) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2291955 | 0.88 | CHRNA7 (0.46) | CHRNA7GAANPC1RAB9ACYP1A2 | |
| SCHEMBL2294915 | 0.86 | CHRNA7 (0.46) | CHRNA7GAANPC1RAB9ACYP1A2 |
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-7994156-B2 | Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-08-09 | — | — | US | disclosed |