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 | 1/20 | 0.30 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.30 |
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 SCHEMBL6556502 | 1.00 | IDO1 (0.52) | IDO1ALDH1A1PDCD1CD274HRH2 | |
| SCHEMBL6556422 | 0.93 | IDO1 (0.58) | IDO1ALDH1A1PDCD1CD274POLB | |
| SCHEMBL6556416 | 0.93 | IDO1 (0.58) | IDO1ALDH1A1PDCD1CD274POLB | |
| SCHEMBL6556426 | 0.93 | IDO1 (0.58) | IDO1ALDH1A1PDCD1CD274POLB | |
| SCHEMBL6558377 | 0.84 | IDO1 (0.55) | IDO1ALDH1A1PDCD1CD274KDM4E | |
| SCHEMBL1743577 | 0.84 | IDO1 (0.55) | IDO1ALDH1A1PDCD1CD274KDM4E | |
| SCHEMBL1743583 | 0.84 | IDO1 (0.55) | IDO1ALDH1A1PDCD1CD274KDM4E | |
| SCHEMBL1743580 | 0.84 | IDO1 (0.55) | IDO1ALDH1A1PDCD1CD274KDM4E | |
| Hydrochloric Acid SCHEMBL6556581 | 0.83 | IDO1 (0.54) | IDO1ALDH1A1PDCD1CD274KDM4E | |
| Hydrochloric Acid SCHEMBL6556570 | 0.83 | IDO1 (0.54) | IDO1ALDH1A1PDCD1CD274KDM4E |
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 4 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 |
| EP-0958285-A1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998030546-A1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-07-16 | — | — | WO | disclosed |