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 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.70 |
| ▸ | SLC6A9 | P48067 | 20/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL3111900 | 0.94 | SLC6A9 (0.76) | SLC6A9KCNH2 | |
| Fumaric Acid SCHEMBL15324451 | 0.86 | SLC6A9 (0.76) | SLC6A9KCNH2 | |
| SCHEMBL3089136 | 0.84 | SLC6A9 (0.84) | SLC6A9KCNH2 | |
| SCHEMBL7893199 | 0.84 | SLC6A9 (0.84) | SLC6A9KCNH2 | |
| Hydrochloric Acid SCHEMBL3105463 | 0.84 | SLC6A9 (0.82) | SLC6A9KCNH2 | |
| SCHEMBL7895018 | 0.83 | SLC6A9 (0.75) | SLC6A9KCNH2 | |
| SCHEMBL3100564 | 0.83 | SLC6A9 (1.00) | SLC6A9KCNH2 | |
| SCHEMBL7896787 | 0.83 | SLC6A9 (0.81) | SLC6A9KCNH2 | |
| SCHEMBL7892494 | 0.83 | SLC6A9 (0.81) | SLC6A9KCNH2 | |
| Hydrochloric Acid SCHEMBL3097877 | 0.83 | SLC6A9 (0.74) | SLC6A9KCNH2 |
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-9067871-B2 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-06-30 | — | — | US | disclosed |
| US-8563617-B2 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2013-10-22 | — | — | US | disclosed |