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 | 13/20 | 0.59 |
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A known ✓ | Q03164 | 5/20 | 0.53 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.53 |
| ▸ | MTOR known ✓ | P42345 | 2/20 | 0.53 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.53 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.53 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.53 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.53 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.53 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.53 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.53 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.53 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.53 |
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 SCHEMBL9499382 | 1.00 | SLC6A4 (0.59) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| Fluoxetine SCHEMBL6005182 | 0.81 | SLC6A4 (0.82) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| Fluoxetine SCHEMBL6005177 | 0.81 | SLC6A4 (0.82) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| Fluoxetine SCHEMBL27334900 | 0.81 | SLC6A4 (0.82) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| Fluoxetine SCHEMBL27524087 | 0.80 | SLC6A4 (0.80) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| Fluoxetine SCHEMBL5790618 | 0.80 | SLC6A4 (0.82) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| SCHEMBL9499069 | 0.78 | SLC6A4 (0.75) | SLC6A4MEN1KMT2ACYP2D6LMNA | |
| Hydrochloric Acid SCHEMBL9500896 | 0.77 | SLC6A4 (0.73) | SLC6A4MEN1KMT2ACYP2D6LMNA | |
| SCHEMBL9499388 | 0.76 | SLC6A4 (0.36) | SLC6A4NOS2MEN1KMT2ACYP2D6 | |
| SCHEMBL8197696 | 0.76 | SLC6A4 (1.00) | SLC6A4MEN1KMT2ACYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5238959-A | For inhibiting serotonin uptake, antidepressant, suppression of alcoholism and obesity | ELI LILLY AND COMPANY (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0336753-B1 | IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1992-07-08 | — | — | EP | disclosed |
| EP-0336753-A1 | Improvements in or relating to propanamine derivatives | ELI LILLY AND COMPANY (US) | 1989-10-11 | — | — | EP | disclosed |