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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 13/20 | 0.61 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7688273 | 0.94 | LSS (0.67) | LSSMEN1KMT2AKCNH2GPR119 | |
| Fumaric Acid SCHEMBL7687488 | 0.88 | LSS (0.56) | LSSPARP10PARP15FFAR4 | |
| Fumaric Acid SCHEMBL7686200 | 0.84 | LSS (0.42) | LSSFFAR4 | |
| Fumaric Acid SCHEMBL7685407 | 0.82 | LSS (0.90) | LSSMEN1KMT2A | |
| SCHEMBL7687793 | 0.81 | LSS (0.61) | LSSMEN1KMT2APARP10PARP15 | |
| Hydrochloric Acid SCHEMBL7687465 | 0.80 | LSS (0.60) | LSSMEN1KMT2APARP10PARP15 | |
| SCHEMBL21123272 | 0.80 | LSS (0.64) | LSSMEN1KMT2APARP10PARP15 | |
| SCHEMBL7683275 | 0.77 | LSS (0.45) | LSSFFAR4 | |
| SCHEMBL7681910 | 0.76 | LSS (0.65) | LSSMEN1KMT2APARP10PARP15 | |
| SCHEMBL17358774 | 0.76 | LSS (1.00) | LSSMEN1KMT2AKCNH2GPR119 |
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-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |