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 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 14/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 SCHEMBL7679276 | 1.00 | LSS (0.42) | LSSTHRATHRBKDM4EMEN1 | |
| SCHEMBL7684020 | 0.96 | LSS (0.45) | LSSTHRATHRBKDM4EMEN1 | |
| SCHEMBL7684015 | 0.96 | LSS (0.45) | LSSTHRATHRBKDM4EMEN1 | |
| SCHEMBL7684026 | 0.96 | LSS (0.45) | LSSTHRATHRBKDM4EMEN1 | |
| SCHEMBL7769440 | 0.96 | LSS (0.45) | LSSTHRATHRBKDM4EMEN1 | |
| Fumaric Acid SCHEMBL7681876 | 0.91 | LSS (0.38) | LSSTHRATHRBKDM4E | |
| Fumaric Acid SCHEMBL7681885 | 0.91 | LSS (0.38) | LSSTHRATHRBKDM4E | |
| SCHEMBL7677323 | 0.87 | LSS (0.40) | LSSTHRATHRBKDM4EMEN1 | |
| SCHEMBL7677331 | 0.87 | LSS (0.40) | LSSTHRATHRBKDM4EMEN1 | |
| Fumaric Acid SCHEMBL7682141 | 0.85 | LSS (0.56) | LSSMEN1KMT2A |
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 |