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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 4/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.42 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
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 SCHEMBL10797396 | 1.00 | DDB1 (0.43) | DDB1CRBNSLC6A2SLC6A4CYP1A2 | |
| SCHEMBL4875615 | 0.87 | CYP1A2 (0.51) | DDB1CRBNSLC6A2SLC6A4CYP1A2 | |
| Fumaric Acid SCHEMBL10795161 | 0.76 | HTR3A (0.43) | DDB1CRBNSLC6A2SLC6A4HRH1 | |
| Maleic Acid SCHEMBL10795151 | 0.76 | HTR3A (0.43) | DDB1CRBNSLC6A2SLC6A4HRH1 | |
| SCHEMBL4514787 | 0.72 | GRIK1 (0.42) | DDB1CRBNSLC6A4CYP1A2MEN1 | |
| SCHEMBL10797400 | 0.72 | DDB1 (0.39) | DDB1CRBNMEN1KMT2ARAB9A | |
| SCHEMBL16770957 | 0.71 | MEN1 (0.45) | DDB1CRBNSLC6A2SLC6A4CYP1A2 | |
| SCHEMBL1143535 | 0.71 | SLC18A3 (0.48) | DDB1CRBNSLC6A2SLC6A4CYP1A2 | |
| SCHEMBL4872590 | 0.71 | DDB1 (0.45) | DDB1CRBNSLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL17061990 | 0.70 | MEN1 (0.44) | SLC6A2SLC6A4CYP1A2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4642348-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | disclosed |
| US-4593102-A | N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |
| EP-0160436-A2 | N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-11-06 | — | — | EP | disclosed |