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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 15/20 | 0.44 |
| ▸ | TACR1 | P25103 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL4748529 | 1.00 | TACR2 (0.44) | TACR2TACR1CYP3A4SIGMAR1 | |
| Fumaric Acid SCHEMBL4745568 | 1.00 | TACR2 (0.44) | TACR2TACR1CYP3A4SIGMAR1 | |
| SCHEMBL5028804 | 0.96 | TACR2 (0.45) | TACR2TACR1CYP3A4SIGMAR1 | |
| SCHEMBL3764734 | 0.96 | TACR2 (0.45) | TACR2TACR1CYP3A4SIGMAR1 | |
| SCHEMBL3761709 | 0.89 | TACR2 (0.45) | TACR2TACR1 | |
| Maleic Acid SCHEMBL493496 | 0.89 | TACR2 (0.43) | TACR2TACR1 | |
| Fumaric Acid SCHEMBL493497 | 0.89 | TACR2 (0.43) | TACR2TACR1 | |
| SCHEMBL3771236 | 0.88 | TACR2 (0.44) | TACR2TACR1 | |
| Hydrochloric Acid SCHEMBL3773045 | 0.88 | TACR2 (0.44) | TACR2TACR1 | |
| SCHEMBL3766893 | 0.88 | TACR2 (0.44) | TACR2TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008118092-A1 | MALEATE SALT OF 3-BROMO-N-{ (2S) -2- (4-F LUOROPHENYL) -4- [3- (4-ACETYLPIPERAZIN-1-YL) AZETIDIN-1-YL] BUTYL} -METHYL-5- (TRIFLUOROMETHYL)BENZAMIDE FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008118091-A1 | A FUMARATE SALT OF 3-BROMO-N-{ (2S) -2- (4 -FLUOROPHENYL) -4- [3- (4-ACETYLPIPERAZIN-L-YL) AZETIDIN-1-YL] BUTYL} -N-METHYL-5- (TRIFLUOROMETHYL)BENZAMIDE FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-02 | — | — | WO | disclosed |