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 | 2/20 | 0.79 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.79 |
| ▸ | SLC6A4 known ✓ | P31645 | 9/20 | 0.64 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.64 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.64 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.64 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.64 |
| ▸ | PPARG known ✓ | P37231 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.79 |
| ▸ | BLM | P54132 | 1/20 | 0.79 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.79 |
| ▸ | ATM | Q13315 | 1/20 | 0.79 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
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 SCHEMBL7346900 | 1.00 | MEN1 (0.79) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL7339196 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL29014388 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL31022880 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL782847 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL35225 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL3863487 | 0.88 | MEN1 (1.00) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fumaric Acid SCHEMBL7336628 | 0.87 | MEN1 (0.81) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fumaric Acid SCHEMBL7336625 | 0.87 | MEN1 (0.81) | MEN1LMNAKMT2ASMN1; SMN2BLM | |
| Fluvoxamine SCHEMBL31495839 | 0.86 | MEN1 (0.87) | MEN1LMNAKMT2ASMN1; SMN2BLM |
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-4085225-A | Oxime ethers having anti-depressive activity | U.S. PHILIPS CORPORATION (US) | 1978-04-18 | — | — | US | disclosed |