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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.74 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.74 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.66 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.66 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.66 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.66 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.66 |
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | LMNA | P02545 | 3/20 | 0.74 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.74 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.74 |
| ▸ | MAPT | P10636 | 2/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.66 |
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 SCHEMBL9832430 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL9832805 | 0.94 | OPRM1 (0.70) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL9834283 | 0.86 | OPRM1 (0.58) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| Trimebutine SCHEMBL67225 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL9834251 | 0.85 | OPRM1 (0.60) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| Trimebutine SCHEMBL28274910 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| Trimebutine SCHEMBL5011979 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| Trimebutine SCHEMBL1652810 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL9833668 | 0.82 | OPRM1 (0.57) | ALDH1A1CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL9831458 | 0.80 | SLC6A3 (0.51) | ALDH1A1CYP3A4LMNAMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0297782-B1 | A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME | TANABE SEIYAKU CO., LTD. (JP) | 1991-05-22 | — | — | EP | disclosed |
| US-4857543-A | TREATMENT OF GASTROINTESTINAL DISORDERS | TANABE SEIYAKU CO., LTD. (JP) | 1989-08-15 | — | — | US | disclosed |
| EP-0297782-A1 | A thiophene derivative and process for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1989-01-04 | — | — | EP | disclosed |