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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 SCHEMBL9856436 | 1.00 | NOS2 (0.45) | NOS2CTSBCTSLCTSSMTNR1A | |
| Fumaric Acid SCHEMBL9856450 | 1.00 | NOS2 (0.45) | NOS2CTSBCTSLCTSSMTNR1A | |
| SCHEMBL9856887 | 0.90 | HTR2A (0.49) | CTSBCTSLCTSSMTNR1AMTNR1B | |
| Oxalic Acid SCHEMBL10595045 | 0.79 | CTSB (0.46) | NOS2CTSBMTNR1AMTNR1BHRH1 | |
| SCHEMBL8384207 | 0.77 | HTR2A (0.60) | MTNR1AMTNR1BHRH1TAAR1HTR2A | |
| SCHEMBL9857077 | 0.77 | HTR2A (0.49) | MTNR1AMTNR1BHRH1TAAR1HTR2A | |
| SCHEMBL9857036 | 0.77 | HTR2A (0.49) | CTSBMTNR1AMTNR1BHRH1TAAR1 | |
| Cadaverine Tartrate SCHEMBL9857058 | 0.76 | SLC6A4 (0.50) | NOS2CTSBCTSLCTSSMTNR1A | |
| Cadaverine Tartrate SCHEMBL9857047 | 0.76 | SLC6A4 (0.50) | NOS2CTSBCTSLCTSSMTNR1A | |
| SCHEMBL9856737 | 0.76 | SLC6A4 (0.54) | HRH1TAAR1HTR2AMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4996235-A | Selectively inhibiting the uptake of serotonin and norepinephrine | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |