Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 11/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 9/20 | 0.40 |
| ▸ | ADRA1B known ✓ | P35368 | 9/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 7/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 6/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL6372755 | 0.79 | ADRA1A (0.65) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Hydrochloric Acid SCHEMBL7632730 | 0.71 | ADRA1A (0.45) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6367224 | 0.70 | ADRA1A (0.82) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6367213 | 0.70 | ADRA1A (0.82) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6367063 | 0.69 | ADRA1A (0.83) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6367057 | 0.69 | ADRA1A (0.83) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Fumaric Acid SCHEMBL6371377 | 0.69 | ADRA1A (0.64) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL7633527 | 0.69 | TAAR1 (0.45) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| SCHEMBL7639413 | 0.69 | ADRA1A (0.46) | ADRA1AADRA1DADRA1BADRA2CADRA2A | |
| Hydrochloric Acid SCHEMBL7630026 | 0.69 | ADRA1A (0.46) | ADRA1AADRA1DADRA1BKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1175406-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000066563-A1 | IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2000-11-09 | — | — | WO | disclosed |