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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.36 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.34 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 SCHEMBL6556555 | 1.00 | MAPT (0.40) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL6556550 | 1.00 | MAPT (0.40) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6556524 | 0.91 | MAPT (0.46) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6556519 | 0.91 | MAPT (0.46) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL6556476 | 0.84 | TSHR (0.35) | MAPTMEN1KMT2AALDH1A1CYP1A2 | |
| Fumaric Acid SCHEMBL7868759 | 0.84 | TSHR (0.35) | MAPTMEN1KMT2AALDH1A1CYP1A2 | |
| Fumaric Acid SCHEMBL6556317 | 0.84 | TSHR (0.35) | MAPTMEN1KMT2AALDH1A1CYP1A2 | |
| Fumaric Acid SCHEMBL6556340 | 0.83 | ACHE (0.43) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL6556347 | 0.83 | ACHE (0.43) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL6556355 | 0.83 | ACHE (0.43) | MAPTMEN1KMT2AKDM4EALDH1A1 |
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 |