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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.58 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.58 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.58 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.58 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.58 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.58 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 9/20 | 0.48 |
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 SCHEMBL7312415 | 1.00 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Oxalic Acid SCHEMBL7409520 | 0.91 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL7053112 | 0.89 | SLC6A4 (0.70) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Fumaric Acid SCHEMBL7312428 | 0.87 | SLC6A2 (0.54) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Maleic Acid SCHEMBL7312418 | 0.87 | SLC6A2 (0.54) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Maleic Acid SCHEMBL7311084 | 0.84 | SLC6A9 (0.60) | SLC6A4SLC6A9ALDH1A1CYP2D6MAPT | |
| Fumaric Acid SCHEMBL7311088 | 0.84 | SLC6A9 (0.60) | SLC6A4SLC6A9ALDH1A1CYP2D6MAPT | |
| SCHEMBL17278097 | 0.79 | SLC7A5 (0.72) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Fumaric Acid SCHEMBL17267521 | 0.78 | SLC7A5 (0.82) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Fumaric Acid SCHEMBL17267580 | 0.78 | SLC7A5 (0.82) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4626549-A | Treatment of obesity with aryloxyphenylpropylamines | ELI LILLY AND COMPANY (US) | 1986-12-02 | — | — | US | disclosed |
| US-4314081-A | ANTIDEPRESSANTS | ELI LILLY AND COMPANY (US) | 1982-02-02 | — | — | US | disclosed |
| US-4194009-A | ANTIDEPRESSANT | ELI LILLY AND COMPANY (US) | 1980-03-18 | — | — | US | disclosed |
| US-4018895-A | Aryloxyphenylpropylamines in treating depression | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |