Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 SCHEMBL9149650 | 1.00 | CCR2 (0.39) | CCR2KCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL7322676 | 0.93 | KCNH2 (0.42) | CCR2KCNH2FAAHCYP3A4CYP2D6 | |
| SCHEMBL7291776 | 0.88 | KCNH2 (0.47) | KCNH2FAAHCYP3A4CYP2D6TSHR | |
| Fumaric Acid SCHEMBL7359414 | 0.88 | MTNR1B (0.39) | TSHR | |
| SCHEMBL7292958 | 0.87 | KCNH2 (0.38) | CCR2KCNH2 | |
| SCHEMBL9490288 | 0.85 | CCR2 (0.34) | CCR2KCNH2MAPK1 | |
| Fumaric Acid SCHEMBL7360228 | 0.83 | CYP3A4 (0.43) | KCNH2FAAHCYP3A4CYP2D6TSHR | |
| SCHEMBL7294243 | 0.82 | SIGMAR1 (0.43) | — | |
| SCHEMBL7289973 | 0.81 | SLC6A3 (0.44) | — | |
| SCHEMBL7289109 | 0.81 | SIGMAR1 (0.39) | KCNH2 |
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-5393759-A | Isochromane derivatives | AKZO N.V. (NL) | 1995-02-28 | — | — | US | disclosed |