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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 6/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL10795377 | 1.00 | CXCR2 (0.40) | CXCR2HRH1AKR1C3HTR2ASLC6A2 | |
| Fumaric Acid SCHEMBL11022713 | 0.92 | KMT2A (0.43) | CXCR2HTR6 | |
| Maleic Acid SCHEMBL11022706 | 0.92 | KMT2A (0.43) | CXCR2HTR6 | |
| SCHEMBL336837 | 0.89 | HTR2A (0.45) | CXCR2AKR1C3HTR2ASLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL3547060 | 0.88 | HTR2A (0.44) | CXCR2AKR1C3HTR2ASLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL10799981 | 0.80 | ALDH1A1 (0.39) | CXCR2 | |
| Fumaric Acid SCHEMBL10794301 | 0.80 | CXCR2 (0.41) | CXCR2HRH1 | |
| Maleic Acid SCHEMBL10794615 | 0.80 | CXCR2 (0.39) | CXCR2HTR2ASLC6A2SLC6A4HTR2C | |
| Maleic Acid SCHEMBL10799968 | 0.80 | ALDH1A1 (0.39) | CXCR2 | |
| Fumaric Acid SCHEMBL10794312 | 0.80 | CXCR2 (0.41) | CXCR2HRH1 |
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 |