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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.40 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 SCHEMBL6556347 | 1.00 | ACHE (0.43) | ACHEHRH2L3MBTL1LMNAMAPK1 | |
| Fumaric Acid SCHEMBL6556355 | 1.00 | ACHE (0.43) | ACHEHRH2L3MBTL1LMNAMAPK1 | |
| SCHEMBL6556191 | 0.90 | ACHE (0.51) | ACHEMEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL6556196 | 0.90 | ACHE (0.51) | ACHEMEN1KMT2ASLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL6558349 | 0.89 | HRH2 (0.46) | HRH2LMNAMAPK1MEN1KMT2A | |
| Fumaric Acid SCHEMBL7867817 | 0.89 | HRH2 (0.46) | HRH2LMNAMAPK1MEN1KMT2A | |
| Fumaric Acid SCHEMBL6558351 | 0.89 | HRH2 (0.46) | HRH2LMNAMAPK1MEN1KMT2A | |
| Fumaric Acid SCHEMBL6558353 | 0.89 | HRH2 (0.46) | HRH2LMNAMAPK1MEN1KMT2A | |
| Fumaric Acid SCHEMBL6556550 | 0.83 | MAPT (0.40) | HRH2L3MBTL1LMNAMAPK1TP53 | |
| Fumaric Acid SCHEMBL6556554 | 0.83 | MAPT (0.40) | HRH2L3MBTL1LMNAMAPK1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958285-B1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | HOFFMANN LA ROCHE (CH) | 2004-01-07 | — | — | EP | disclosed |
| US-6310208-B1 | Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |