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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.44 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.44 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.44 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938319 | 0.93 | SLC6A4 (0.43) | SLC6A4CHRM2ADRA2ACHRM1ADRA1A | |
| SCHEMBL8938382 | 0.85 | KCNH2 (0.41) | SLC6A4CHRM2ADRA2ACHRM1ADRA1A | |
| Zamifenacin SCHEMBL8938193 | 0.84 | KDM4E (0.45) | ADRA1AOPRM1OPRK1KMT2AMAPK1 | |
| Zamifenacin SCHEMBL3227612 | 0.84 | KDM4E (0.45) | ADRA1AOPRM1OPRK1KMT2AMAPK1 | |
| Fumaric Acid SCHEMBL8938569 | 0.78 | HRH3 (0.50) | SLC6A4KMT2AHTR1AHRH3 | |
| Zamifenacin SCHEMBL311829 | 0.76 | ADRA1D (0.46) | SLC6A4ADRA1AOPRM1OPRK1SLC6A2 | |
| Zamifenacin SCHEMBL1933745 | 0.76 | ADRA1D (0.46) | SLC6A4ADRA1AOPRM1OPRK1SLC6A2 | |
| Zamifenacin SCHEMBL4603503 | 0.75 | ADRA1D (0.46) | SLC6A4ADRA1AOPRM1OPRK1SLC6A2 | |
| SCHEMBL8938444 | 0.75 | SLC6A2 (0.47) | SLC6A4CHRM2ADRA2ACHRM1ADRA1A | |
| SCHEMBL8938323 | 0.75 | CHRM1 (0.36) | SLC6A4CHRM2ADRA2ACHRM1ADRA1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534626-A | SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES | PFIZER INC. (US) | 1996-07-09 | — | — | US | disclosed |
| US-5410046-A | Selective muscarinic receptor antagonists | PFIZER INC. (US) | 1995-04-25 | — | — | US | disclosed |
| US-5231104-A | Anticholinergic | PFIZER INC. (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0350309-B1 | PIPERIDINE DERIVATIVES | Pfizer Limited (GB) | 1992-11-11 | — | — | EP | disclosed |
| US-5089505-A | Anticholinergic agents | PFIZER INC. (US) | 1992-02-18 | — | — | US | disclosed |
| EP-0350309-A1 | Piperidine derivatives | Pfizer Limited (GB) | 1990-01-10 | — | — | EP | disclosed |