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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DEGS1 | O15121 | 4/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
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 SCHEMBL11375137 | 1.00 | ESR1 (0.44) | ESR1ESR2SLC6A4TAAR1MAPT | |
| Prisotinol SCHEMBL9625100 | 0.82 | ESR1 (0.48) | ESR1ESR2TAAR1MAPTTDP2 | |
| Prisotinol SCHEMBL9625103 | 0.82 | ESR1 (0.48) | ESR1ESR2TAAR1MAPTTDP2 | |
| SCHEMBL11375141 | 0.79 | SLC6A4 (0.39) | SLC6A4MAPTGAAHCAR3ALDH1A1 | |
| SCHEMBL11128368 | 0.74 | ESR1 (0.57) | ESR1ESR2SLC6A4MAPTNPSR1 | |
| Fumaric Acid SCHEMBL10774247 | 0.73 | ESR1 (0.47) | ESR1ESR2TAAR1MAPTTDP2 | |
| Fumaric Acid SCHEMBL9625740 | 0.73 | ESR1 (0.47) | ESR1ESR2TAAR1MAPTTDP2 | |
| SCHEMBL11097229 | 0.72 | ESR1 (0.54) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL11099544 | 0.70 | ESR1 (0.58) | ESR1ESR2SLC6A4TAAR1DEGS1 | |
| Prisotinol SCHEMBL1229234 | 0.70 | ESR1 (0.58) | ESR1ESR2SLC6A4TAAR1DEGS1 |
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-4260619-A | ANTIISCHEMIC | CIBA-GEIGY CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| EP-0019739-A1 | 2-Aminoalkyl-5-pyridinoles, process for their preparation and pharmaceutical preparations containing them | CIBA-GEIGY AG (CH) | 1980-12-10 | — | — | EP | disclosed |