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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.78 |
| ▸ | ERBB2 known ✓ | P04626 | 19/20 | 0.78 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.70 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.70 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.70 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.70 |
| ▸ | STK25 | O00506 | 1/20 | 0.70 |
| ▸ | CIT | O14578 | 1/20 | 0.70 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.70 |
| ▸ | GAK | O14976 | 1/20 | 0.70 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.70 |
| ▸ | STK17B | O94768 | 1/20 | 0.70 |
| ▸ | STK10 | O94804 | 1/20 | 0.70 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.70 |
| ▸ | ABL1 | P00519 | 1/20 | 0.70 |
| ▸ | LCK | P06239 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | FES | P07332 | 1/20 | 0.70 |
| ▸ | CSF1R | P07333 | 1/20 | 0.70 |
| ▸ | YES1 | P07947 | 1/20 | 0.70 |
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 SCHEMBL29500961 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL28915360 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL29501006 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL23420360 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL29420759 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL23420362 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL29780804 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL29420770 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| Maleic Acid SCHEMBL29780803 | 1.00 | EGFR (0.78) | EGFRERBB2STK25CITCHEK1 | |
| SCHEMBL2132745 | 0.97 | EGFR (0.82) | EGFRERBB2STK25CITCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111617081-B | Pharmaceutical composition combining substituted butenamide and mTOR inhibitor and application of pharmaceutical composition | 江苏苏中药业集团股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-111617081-A | Pharmaceutical composition combining substituted butenamide and mTOR inhibitor and application of pharmaceutical composition | 江苏苏中药业集团股份有限公司 | 2020-09-04 | — | — | CN | disclosed |