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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 9/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7677627 | 0.95 | LSS (0.58) | LSSHRH3ACHENSD2FASN | |
| Fumaric Acid SCHEMBL7686204 | 0.90 | LSS (0.65) | LSSACHE | |
| SCHEMBL7683282 | 0.84 | LSS (0.72) | LSSACHEFFAR4 | |
| Fumaric Acid SCHEMBL7686378 | 0.82 | F10 (0.37) | LSSVNN1 | |
| SCHEMBL7685852 | 0.78 | LSS (0.57) | LSSHRH3ACHENSD2VNN1 | |
| SCHEMBL7685855 | 0.78 | LSS (0.57) | LSSHRH3ACHENSD2VNN1 | |
| SCHEMBL7677619 | 0.76 | F10 (0.40) | LSSVNN1 | |
| Fumaric Acid SCHEMBL7685407 | 0.76 | LSS (0.90) | LSS | |
| Fumaric Acid SCHEMBL7686200 | 0.71 | LSS (0.42) | LSSFFAR4 | |
| SCHEMBL7687794 | 0.70 | LSS (1.00) | LSS |
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 |