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 | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 4/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | GYS1 | P13807 | 1/20 | 0.31 |
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 SCHEMBL6337332 | 1.00 | CDK9 (0.33) | CDK9CCNT1GYS1 | |
| Fumaric Acid SCHEMBL6335012 | 0.87 | CCNT1 (0.36) | CDK9CCNT1GYS1 | |
| Fumaric Acid SCHEMBL6335016 | 0.87 | CCNT1 (0.36) | CDK9CCNT1GYS1 | |
| SCHEMBL6330778 | 0.76 | CCNT1 (0.41) | CDK9CCNT1 | |
| Fumaric Acid SCHEMBL6339530 | 0.75 | GYS1 (0.31) | GYS1 | |
| Fumaric Acid SCHEMBL6339524 | 0.75 | GYS1 (0.31) | GYS1 | |
| Hydrochloric Acid SCHEMBL6339258 | 0.75 | CCNT1 (0.40) | CDK9CCNT1 | |
| Fumaric Acid SCHEMBL6334744 | 0.71 | SLC22A12 (0.34) | — | |
| Fumaric Acid SCHEMBL6334738 | 0.71 | SLC22A12 (0.34) | — | |
| SCHEMBL6337333 | 0.71 | GYS1 (0.34) | GYS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6881733-B1 | Serotonergic benzofurans | ELI LILLY AND COMPANY (US) | 2005-04-19 | — | — | US | disclosed |
| EP-1204659-B1 | SEROTONERGIC BENZOFURANS | LILLY CO ELI (US) | 2003-11-26 | — | — | EP | disclosed |