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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 6/20 | 0.51 |
| ▸ | CHRM2 known ✓ | P08172 | 5/20 | 0.51 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.51 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.51 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.51 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.51 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10867423 | 0.95 | CHRM3 (0.55) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13590340 | 0.84 | OPRM1 (0.55) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL10868089 | 0.84 | OPRM1 (0.57) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| Fumaric Acid SCHEMBL10867111 | 0.84 | ADRB2 (0.46) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13721373 | 0.82 | CHRM3 (0.60) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13590382 | 0.81 | OPRM1 (0.50) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13785555 | 0.80 | KCNH2 (0.58) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13590373 | 0.80 | OPRM1 (0.56) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL14001644 | 0.80 | OPRM1 (0.56) | CHRM3CHRM2OPRM1CHRM4CHRM1 | |
| SCHEMBL13590358 | 0.80 | OPRM1 (0.56) | CHRM3CHRM2OPRM1CHRM4CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0178946-A2 | 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-04-23 | — | — | EP | disclosed |