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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.44 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | GABRP | O00591 | 1/20 | 0.52 |
| ▸ | GABRD | O14764 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.52 |
| ▸ | GABRE | P78334 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.52 |
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 SCHEMBL4261390 | 1.00 | TSHR (0.52) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL4539455 | 0.87 | GABRA1 (0.59) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1298 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL4716510 | 0.84 | GABRA1 (0.56) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL2674808 | 0.84 | GABRA1 (0.56) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Maleic Acid SCHEMBL30665642 | 0.84 | TSHR (0.47) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Fumaric Acid SCHEMBL30852696 | 0.84 | TSHR (0.47) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Formic Acid SCHEMBL28944845 | 0.83 | GABRA5 (0.50) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Benzene SCHEMBL16741898 | 0.83 | GABRP (0.56) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL29868978 | 0.82 | GABRA1 (0.54) | TSHRGABRPGABRDGABRA1GABRB1 |
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-2024354-A1 | 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 | Albireo AB (SE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007136324-A1 | 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 | ALBIREO AB (SE) | 2007-11-29 | — | — | WO | disclosed |