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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 16/20 | 0.73 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.73 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.63 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.63 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL11190942 | 1.00 | ADRB2 (0.73) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11180299 | 0.92 | ADRB2 (0.69) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Oxalic Acid SCHEMBL11187214 | 0.86 | ADRB2 (0.63) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11180839 | 0.85 | ADRB2 (0.63) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Formoterol SCHEMBL1650339 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Arformoterol SCHEMBL1660800 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Formoterol SCHEMBL31079687 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Arformoterol SCHEMBL29372718 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Arformoterol SCHEMBL902222 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Formoterol SCHEMBL3670606 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4376780-A | Novel phenethylamine derivatives and bronchdilator containing the same | EISAI CO., LTD. (JP) | 1983-03-15 | — | — | US | disclosed |
| US-4317930-A | Phenethylamine derivatives and bronchdilator containing the same | EISAI CO., LTD. (JP) | 1982-03-02 | — | — | US | disclosed |