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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.92 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.92 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.92 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.92 |
| ▸ | FPR1 | P21462 | 1/20 | 0.92 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.92 |
| ▸ | GPR183 | P32249 | 1/20 | 0.92 |
| ▸ | APLNR | P35414 | 1/20 | 0.92 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.92 |
| ▸ | GLP1R | P43220 | 1/20 | 0.92 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.92 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.92 |
| ▸ | ADGRF1 | Q5T601 | 1/20 | 0.92 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.92 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.92 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.92 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.92 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.92 |
| ▸ | BDKRB1 | P46663 | 9/20 | 0.47 |
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 SCHEMBL5148843 | 1.00 | CHRM2 (0.92) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL5155983 | 0.96 | CHRM2 (0.99) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL5231688 | 0.96 | CHRM2 (0.99) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL1713111 | 0.96 | CHRM2 (0.99) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| Hydrochloric Acid SCHEMBL29419935 | 0.96 | CHRM2 (1.00) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| Hydrochloric Acid SCHEMBL2358624 | 0.96 | CHRM2 (1.00) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL13984982 | 0.88 | CHRM2 (0.82) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL5154396 | 0.87 | CHRM2 (0.79) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL5232611 | 0.87 | CHRM2 (0.79) | CHRM2CHRM5ADRA2CS1PR1FPR1 | |
| SCHEMBL5151119 | 0.87 | CHRM2 (0.81) | CHRM2CHRM5ADRA2CS1PR1FPR1 |
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-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | claimed |