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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.49 |
| ▸ | LSS | P48449 | 20/20 | 0.90 |
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 | |
|---|---|---|---|---|
| SCHEMBL17358774 | 0.95 | LSS (1.00) | LSSMEN1KMT2A | |
| SCHEMBL7688275 | 0.95 | LSS (1.00) | LSSMEN1KMT2A | |
| Fumaric Acid SCHEMBL7687490 | 0.88 | LSS (0.88) | LSS | |
| Fumaric Acid SCHEMBL7686204 | 0.84 | LSS (0.65) | LSS | |
| Fumaric Acid SCHEMBL7685404 | 0.82 | LSS (0.61) | LSSMEN1KMT2A | |
| SCHEMBL7687794 | 0.82 | LSS (1.00) | LSSMEN1KMT2A | |
| SCHEMBL17358775 | 0.82 | LSS (1.00) | LSSMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7687467 | 0.81 | LSS (0.98) | LSSMEN1KMT2A | |
| SCHEMBL7683282 | 0.78 | LSS (0.72) | LSSMEN1KMT2A | |
| SCHEMBL7681900 | 0.78 | LSS (1.00) | LSSMEN1KMT2A |
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-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |