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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 11/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744207 | 0.94 | CHRNB2 (0.39) | NAMPTMEN1KMT2ACHRNB2CHRNB4 | |
| Fumaric Acid SCHEMBL27723244 | 0.88 | NAMPT (0.35) | NAMPTMEN1KMT2ACHRNB2CHRNB4 | |
| Fumaric Acid SCHEMBL27743974 | 0.86 | NAMPT (0.35) | AKR1C4AKR1C3NAMPTMEN1KMT2A | |
| Fumaric Acid SCHEMBL27723232 | 0.85 | NAMPT (0.36) | AKR1C4AKR1C3NAMPTMEN1KMT2A | |
| SCHEMBL28772933 | 0.84 | AKR1C4 (0.33) | AKR1C4AKR1C3NFE2L2 | |
| Fumaric Acid SCHEMBL27723235 | 0.84 | NAMPT (0.34) | NAMPTMEN1KMT2ACHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL27744073 | 0.84 | CHRNB2 (0.39) | NAMPTMEN1KMT2ACHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL27723211 | 0.83 | AKR1C4 (0.33) | AKR1C4AKR1C3 | |
| Vonoprazan SCHEMBL194396 | 0.83 | CHRNB2 (0.39) | AKR1C4AKR1C3NAMPTMEN1KMT2A | |
| Vonoprazan SCHEMBL29379818 | 0.83 | CHRNB2 (0.39) | AKR1C4AKR1C3NAMPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102421753-A | Process for preparing azole compounds | TAKEDA PHARMACEUTICAL | 2012-04-18 | — | — | CN | disclosed |
| 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 |