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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
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 SCHEMBL6556369 | 1.00 | GAA (0.44) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556377 | 1.00 | GAA (0.44) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556381 | 1.00 | GAA (0.44) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556397 | 0.91 | KMT2A (0.40) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556402 | 0.91 | KMT2A (0.40) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556387 | 0.91 | KMT2A (0.40) | GAALMNAKMT2AMEN1HTT | |
| Fumaric Acid SCHEMBL6556392 | 0.91 | KMT2A (0.40) | GAALMNAKMT2AMEN1HTT | |
| SCHEMBL6556481 | 0.91 | GAA (0.45) | GAALMNAL3MBTL1SIGMAR1ALDH1A1 | |
| SCHEMBL6556471 | 0.91 | GAA (0.45) | GAALMNAL3MBTL1SIGMAR1ALDH1A1 | |
| SCHEMBL6556478 | 0.91 | GAA (0.45) | GAALMNAL3MBTL1SIGMAR1ALDH1A1 |
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 |