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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 10/20 | 0.67 |
| ▸ | SLC6A3 known ✓ | Q01959 | 9/20 | 0.67 |
| ▸ | SLC6A2 known ✓ | P23975 | 9/20 | 0.67 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.61 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.61 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.61 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.61 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.61 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.61 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.61 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.61 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.61 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.61 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.61 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.61 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.61 |
| ▸ | MLNR | O43193 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
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 SCHEMBL3326 | 1.00 | SLC6A4 (0.67) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL3412 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL3414 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL1576642 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL4105472 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL3240922 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Duloxetine SCHEMBL1576639 | 0.87 | SLC6A2 (0.82) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Oxalic Acid SCHEMBL9743 | 0.82 | SLC6A4 (0.70) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| SCHEMBL17424307 | 0.81 | SLC6A4 (0.78) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F | |
| Fumaric Acid SCHEMBL6501014 | 0.80 | NOS2 (0.73) | SLC6A4SLC6A3SLC6A2MLNRCACNA1F |
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 |
|---|---|---|---|---|---|---|---|
| US-5023269-A | 3-aryloxy-3-substituted propanamines | ELI LILLY AND COMPANY (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0273658-B1 | 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES | ELI LILLY AND COMPANY (US) | 1990-10-31 | — | — | EP | disclosed |
| US-4956388-A | ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL | ELI LILLY AND COMPANY (US) | 1990-09-11 | — | — | US | disclosed |
| EP-0273658-A1 | 3-Aryloxy-3-substituted propanamines | ELI LILLY AND COMPANY (US) | 1988-07-06 | — | — | EP | disclosed |