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 | 2/20 | 0.57 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.57 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.48 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.48 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.76 |
| ▸ | HTT | P42858 | 2/20 | 0.76 |
| ▸ | SETD7 | Q8WTS6 | 3/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | DRD1 | P21728 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
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 SCHEMBL11574700 | 1.00 | CYP3A4 (0.76) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| SCHEMBL11575495 | 0.90 | SETD7 (0.70) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Pimethixene SCHEMBL301225 | 0.87 | HTT (1.00) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Pimethixene SCHEMBL301226 | 0.87 | HTT (1.00) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Fumaric Acid SCHEMBL11650064 | 0.82 | SETD7 (0.57) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Fumaric Acid SCHEMBL11650062 | 0.82 | SETD7 (0.57) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Maleic Acid SCHEMBL11596646 | 0.80 | HTT (0.80) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Fumaric Acid SCHEMBL11596650 | 0.80 | HTT (0.80) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Fumaric Acid SCHEMBL11630551 | 0.79 | CYP3A4 (0.46) | CYP3A4HTTSETD7CHRM2ADRA2A | |
| Fumaric Acid SCHEMBL11630549 | 0.79 | CYP3A4 (0.46) | CYP3A4HTTSETD7CHRM2ADRA2A |
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-4086350-A | FLUORO, CHLORO AND CYANO SUBSTITUTED 4-(9-XANTHENYLIDENE, 9-THIOXANTHENYLIDENE OR 11(6H)-DIBENZO(B,E)OXEPINYLIDENE)-1-METHYL-PIPERIDINES | SMITHKLINE CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |