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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.53 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 5/20 | 0.53 |
| ▸ | MMP1 | P03956 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 3/20 | 0.33 |
| ▸ | MMP13 | P45452 | 3/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3634618 | 0.93 | KCNH2 (0.60) | KCNH2HRH3 | |
| SCHEMBL4011219 | 0.88 | KCNH2 (0.58) | KCNH2HRH3 | |
| SCHEMBL4019237 | 0.79 | KCNH2 (0.42) | KCNH2HRH3 | |
| Fumaric Acid SCHEMBL1141068 | 0.79 | KCNH2 (0.85) | KCNH2HRH3 | |
| Maleic Acid SCHEMBL1141066 | 0.79 | KCNH2 (0.85) | KCNH2HRH3 | |
| Maleic Acid SCHEMBL3633691 | 0.79 | KCNH2 (0.85) | KCNH2HRH3 | |
| Fumaric Acid SCHEMBL1141067 | 0.79 | KCNH2 (0.85) | KCNH2HRH3 | |
| SCHEMBL12863267 | 0.74 | HRH3 (0.69) | KCNH2HRH3 | |
| SCHEMBL13168396 | 0.71 | KCNH2 (0.64) | KCNH2HRH3 | |
| SCHEMBL1128396 | 0.70 | KCNH2 (1.00) | KCNH2HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155668-A2 | CRYSTALLINE FORMS OF (R)-1-{2-Ý4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008153958-A2 | CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2008-12-18 | — | — | WO | disclosed |