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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8373610 | 0.91 | MCHR1 (0.43) | CASP1KMT2AMCHR1SIGMAR1 | |
| Fumaric Acid SCHEMBL8146701 | 0.86 | KMT2A (0.43) | CASP1KMT2AMCHR1MEN1ESR1 | |
| SCHEMBL782565 | 0.75 | MCHR1 (0.49) | KMT2AMCHR1MEN1SIGMAR1 | |
| SCHEMBL8154457 | 0.75 | MCHR1 (0.49) | KMT2AMCHR1MEN1SIGMAR1 | |
| SCHEMBL8154453 | 0.75 | MCHR1 (0.49) | KMT2AMCHR1MEN1SIGMAR1 | |
| Fumaric Acid SCHEMBL8155294 | 0.72 | HRH4 (0.40) | MCHR1MAPTBAZ2B | |
| Fumaric Acid SCHEMBL8373626 | 0.72 | HRH4 (0.40) | MCHR1MAPTBAZ2B | |
| Hydrochloric Acid SCHEMBL8371422 | 0.71 | SIGMAR1 (0.40) | CASP1KMT2AMCHR1SIGMAR1LMNA | |
| Hydrochloric Acid SCHEMBL8154808 | 0.71 | SIGMAR1 (0.40) | CASP1KMT2AMCHR1SIGMAR1LMNA | |
| SCHEMBL8373582 | 0.70 | DRD2 (0.49) | KMT2AMEN1SIGMAR1 |
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 1 patent. 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 |