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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.72 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.72 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.72 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.72 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.72 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.41 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.72 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | DRD3 | P35462 | 1/20 | 0.72 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.72 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.72 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL8196923 | 0.93 | KCNH2 (0.83) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| SCHEMBL8196919 | 0.93 | KCNH2 (0.83) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Ibutilide SCHEMBL42074 | 0.92 | KCNH2 (0.85) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Ibutilide SCHEMBL15540420 | 0.92 | KCNH2 (0.85) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Ibutilide SCHEMBL42073 | 0.92 | KCNH2 (0.85) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Ibutilide SCHEMBL1649397 | 0.92 | KCNH2 (0.85) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Fumaric Acid SCHEMBL8201351 | 0.90 | KCNH2 (0.69) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Trecetilide SCHEMBL29711666 | 0.89 | CACNA1F (0.67) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Artilide SCHEMBL122269 | 0.85 | KCNH2 (0.70) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B | |
| Ibutilide SCHEMBL3719856 | 0.84 | KCNH2 (1.00) | ADRA2CKCNH2CACNA1FCHRM2ADRA2B |
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-0802900-B1 | ANTIARRHYTHMIC (S)-ENANTIOMERS OF METHANESULFONAMIDES | UPJOHN CO (US) | 2000-02-16 | — | — | EP | claimed |