Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.60 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.48 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.48 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
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 SCHEMBL10795308 | 1.00 | HTR2A (0.60) | HTR2AALDH1A1CYP2D6HTTBCHE | |
| Fumaric Acid SCHEMBL10797853 | 0.93 | HTR2A (0.69) | HTR2ADRD2KCNH2HTR2CSIGMAR1 | |
| Maleic Acid SCHEMBL10797845 | 0.93 | HTR2A (0.69) | HTR2ADRD2KCNH2HTR2CSIGMAR1 | |
| SCHEMBL10798967 | 0.92 | HTR2A (0.70) | HTR2AALDH1A1CYP2D6HTTBCHE | |
| SCHEMBL10800201 | 0.84 | HTR2A (0.83) | HTR2AALDH1A1CYP2D6HTTBCHE | |
| SCHEMBL25010508 | 0.81 | HTR2A (0.68) | HTR2ABCHEACHEBACE1DRD2 | |
| SCHEMBL20002765 | 0.81 | HTR2A (0.68) | HTR2ABCHEACHEBACE1DRD2 | |
| SCHEMBL4283526 | 0.81 | HTR2A (0.68) | HTR2AALDH1A1HTTBCHEACHE | |
| Maleic Acid SCHEMBL10795162 | 0.76 | DRD2 (0.49) | HTR2AHTTBCHEACHEBACE1 | |
| Fumaric Acid SCHEMBL10795166 | 0.76 | DRD2 (0.49) | HTR2AHTTBCHEACHEBACE1 |
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 2 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 |