Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.45 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.44 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 9/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 3/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL10925071 | 1.00 | HTR1B (0.50) | HTR1BKDM4EALDH1A1HPGDATM | |
| SCHEMBL10924493 | 0.92 | HTR1B (0.59) | HTR1BKDM4EALDH1A1HPGDKMT2A | |
| Fumaric Acid SCHEMBL10923725 | 0.91 | HTR1B (0.47) | HTR1BKDM4EALDH1A1HPGDATM | |
| Fumaric Acid SCHEMBL10923176 | 0.90 | HTR1B (0.52) | HTR1BKDM4EALDH1A1HPGDATM | |
| Maleic Acid SCHEMBL10923171 | 0.90 | HTR1B (0.52) | HTR1BKDM4EALDH1A1HPGDATM | |
| SCHEMBL10922354 | 0.84 | HTR1B (0.59) | HTR1BKDM4EALDH1A1HPGDATM | |
| Hydrochloric Acid SCHEMBL11338197 | 0.83 | HTR1B (0.57) | HTR1BKDM4EALDH1A1HPGDATM | |
| Maleic Acid SCHEMBL10918474 | 0.77 | HRH1 (0.47) | KDM4EALDH1A1HPGDKMT2AHRH1 | |
| Fumaric Acid SCHEMBL10921842 | 0.77 | HRH1 (0.47) | KDM4EALDH1A1HPGDKMT2AHRH1 | |
| Fumaric Acid SCHEMBL10918362 | 0.75 | HRH1 (0.43) | HTR1BKDM4EALDH1A1KMT2AHRH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0066987-B1 | N-(ARYLOXYALKYL)-N'-(AMINO-ALKYL) UREAS | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-08-27 | — | — | EP | claimed |
| US-4558155-A | N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-12-10 | — | — | US | disclosed |
| US-4500529-A | ANTIARRHYTHMIA AGENT | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-02-19 | — | — | US | disclosed |
| EP-0066987-A2 | N-(aryloxyalkyl)-N'-(amino-alkyl) ureas | A.H. ROBINS COMPANY, INCORPORATED (US) | 1982-12-15 | — | — | EP | disclosed |