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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2297217 | 0.94 | KMT2A (0.53) | KMT2AMEN1SMN1; SMN2LMNANPSR1 | |
| SCHEMBL2297216 | 0.94 | KMT2A (0.53) | KMT2AMEN1SMN1; SMN2LMNANPSR1 | |
| SCHEMBL2293194 | 0.89 | KMT2A (0.51) | KMT2AMEN1SMN1; SMN2LMNANPSR1 | |
| SCHEMBL2293191 | 0.89 | KMT2A (0.51) | KMT2AMEN1SMN1; SMN2LMNANPSR1 | |
| Fumaric Acid SCHEMBL2297059 | 0.78 | CHRNA7 (0.42) | HTR1DHTR1BKMT2AMEN1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL2294897 | 0.78 | CHRNA7 (0.42) | HTR1DHTR1BKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5104855 | 0.77 | GAA (0.66) | KMT2AMEN1SMN1; SMN2LMNANPSR1 | |
| Fumaric Acid SCHEMBL2290329 | 0.77 | CHRNA7 (0.44) | HTR1DHTR1BKMT2AMEN1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL2291366 | 0.76 | GAA (0.44) | HTR1DHTR1BKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14740658 | 0.76 | ALDH1A1 (0.60) | KMT2AMEN1SMN1; SMN2LMNANPSR1 |
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 |