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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 5/20 | 0.37 |
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.37 |
| ▸ | HTR2C known ✓ | P28335 | 4/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.33 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 SCHEMBL8373626 | 1.00 | HRH4 (0.40) | HRH4HRH3TDO2HTR2AKCNH2 | |
| Fumaric Acid SCHEMBL8146701 | 0.85 | KMT2A (0.43) | HTR2AKCNH2HTR2CMCHR1HRH2 | |
| SCHEMBL8154453 | 0.74 | MCHR1 (0.49) | HTR2AKCNH2HTR2CMCHR1BLM | |
| SCHEMBL782565 | 0.74 | MCHR1 (0.49) | HTR2AKCNH2HTR2CMCHR1BLM | |
| SCHEMBL8154457 | 0.74 | MCHR1 (0.49) | HTR2AKCNH2HTR2CMCHR1BLM | |
| Fumaric Acid SCHEMBL8149381 | 0.72 | CASP1 (0.41) | BAZ2BMCHR1MAPT | |
| Oxalic Acid SCHEMBL8150445 | 0.72 | MEN1 (0.36) | HRH4HRH3HTR2AMCHR1 | |
| SCHEMBL8147229 | 0.70 | MAPT (0.42) | HRH3KCNH2BAZ2BMCHR1MAPT | |
| SCHEMBL8372824 | 0.68 | MCHR1 (0.38) | HTR2AMCHR1MAPT | |
| Fumaric Acid SCHEMBL8150093 | 0.65 | MCHR1 (0.45) | MCHR1HRH2DRD2 |
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-6063803-A | ANALGESICS AND CHEMICAL INTERMEDIATES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999065911-A1 | OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES USEFUL AS ANALGESIC AGENTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-12-23 | — | — | WO | disclosed |