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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | 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 SCHEMBL6335012 | 1.00 | CCNT1 (0.36) | CCNT1CDK9XDHSLC22A12GYS1 | |
| SCHEMBL6330778 | 0.90 | CCNT1 (0.41) | CCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL6339258 | 0.89 | CCNT1 (0.40) | CCNT1CDK9 | |
| Fumaric Acid SCHEMBL6337332 | 0.87 | CDK9 (0.33) | CCNT1CDK9GYS1 | |
| Fumaric Acid SCHEMBL6337336 | 0.87 | CDK9 (0.33) | CCNT1CDK9GYS1 | |
| Fumaric Acid SCHEMBL6339530 | 0.80 | GYS1 (0.31) | XDHSLC22A12GYS1 | |
| Fumaric Acid SCHEMBL6339524 | 0.80 | GYS1 (0.31) | XDHSLC22A12GYS1 | |
| Hydrochloric Acid SCHEMBL7474626 | 0.77 | CDK9 (0.32) | CCNT1CDK9GYS1 | |
| Fumaric Acid SCHEMBL6332468 | 0.73 | PLG (0.35) | — | |
| Fumaric Acid SCHEMBL6332464 | 0.73 | PLG (0.35) | — |
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 4 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 |
| EP-1204659-A2 | SEROTONERGIC BENZOFURANS | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001009122-A2 | SEROTONERGIC BENZOFURANS | ELI LILLY AND COMPANY (US) | 2001-02-08 | — | — | WO | disclosed |