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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 3/20 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.36 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.38 |
| ▸ | CASR | P41180 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL9825118 | 0.91 | SLC2A1 (0.43) | SLC2A1MTNR1AMTNR1BADRB3CASR | |
| Fumaric Acid SCHEMBL7311253 | 0.85 | ALDH1A1 (0.42) | SLC2A1MTNR1AMTNR1BADRB2ADRB1 | |
| SCHEMBL7317493 | 0.77 | SLC2A1 (0.52) | SLC2A1ADRB3MEN1KMT2ATAAR1 | |
| SCHEMBL9824303 | 0.77 | CYP1A1 (0.44) | SLC2A1CASRMEN1KMT2ASIGMAR1 | |
| SCHEMBL9824993 | 0.77 | CYP1A1 (0.44) | SLC2A1CASRMEN1KMT2ASIGMAR1 | |
| SCHEMBL7315795 | 0.75 | MEN1 (0.50) | SLC2A1CASRMEN1KMT2ASIGMAR1 | |
| SCHEMBL9824587 | 0.74 | SLC2A1 (0.45) | SLC2A1MTNR1AMTNR1BCASRMEN1 | |
| SCHEMBL9825369 | 0.70 | KCNH2 (0.50) | SLC2A1MEN1KMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL7320769 | 0.69 | KCNH2 (0.49) | SLC2A1MEN1KMT2ASIGMAR1 | |
| SCHEMBL1095832 | 0.66 | ESR1 (0.48) | MTNR1AMTNR1BMEN1KMT2ANQO2 |
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-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |