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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 12/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 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 SCHEMBL27723318 | 0.93 | NAMPT (0.35) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL27743990 | 0.91 | NAMPT (0.36) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL27744191 | 0.91 | NAMPT (0.35) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL27723299 | 0.86 | CHRNB2 (0.41) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL27744061 | 0.85 | CHRNB2 (0.40) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL27723433 | 0.85 | AKR1C4 (0.38) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL1278476 | 0.84 | CHRNB2 (0.39) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Fumaric Acid SCHEMBL1278470 | 0.84 | CHRNB2 (0.39) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Fumaric Acid SCHEMBL27743974 | 0.83 | NAMPT (0.35) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Fumaric Acid SCHEMBL27723297 | 0.80 | NAMPT (0.34) | NAMPTCHRNB2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |