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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.38 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.38 |
| ▸ | REN known ✓ | P00797 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 SCHEMBL10360098 | 0.95 | CHRM4 (0.41) | L3MBTL1ADRB2CHRM2CHRM4ADRB1 | |
| SCHEMBL10360150 | 0.94 | L3MBTL1 (0.45) | L3MBTL1ALDH1A1NPC1CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL10360113 | 0.89 | LMNA (0.42) | ADRB2CHRM2CHRM4ADRB1CHRM5 | |
| SCHEMBL10360126 | 0.89 | CHRM4 (0.45) | L3MBTL1ADRB2CHRM2CHRM4ADRB1 | |
| SCHEMBL10360112 | 0.84 | LMNA (0.46) | ALDH1A1ADRB2CHRM2CHRM4ADRB1 | |
| SCHEMBL10360736 | 0.84 | LMNA (0.43) | L3MBTL1ALDH1A1ADRB2CHRM2CHRM4 | |
| Fumaric Acid SCHEMBL10360148 | 0.82 | HTT (0.47) | ALDH1A1NPC1RAB9AADRB2LMNA | |
| Fumaric Acid SCHEMBL10867111 | 0.82 | ADRB2 (0.46) | ALDH1A1ADRB2CHRM2CHRM4ADRB1 | |
| SCHEMBL10550100 | 0.78 | EPHX2 (0.43) | L3MBTL1ALDH1A1CHRM2CHRM4CHRM1 | |
| SCHEMBL10866990 | 0.76 | CHRM2 (0.50) | ALDH1A1CYP3A4CYP2D6ADRB2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0178947-B1 | 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-09-26 | — | — | EP | disclosed |
| US-4812452-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-14 | — | — | US | disclosed |
| US-4812451-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-14 | — | — | US | disclosed |
| US-4810703-A | ANTIARRHYTHMIA | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-07 | — | — | US | disclosed |
| US-4594343-A | FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS | A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. | 1986-06-10 | — | — | US | disclosed |
| EP-0178947-A2 | 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-04-23 | — | — | EP | disclosed |