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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.53 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.52 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.83 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
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 SCHEMBL8092721 | 1.00 | SIGMAR1 (0.83) | SIGMAR1S1PR1S1PR3DRD2HTR1A | |
| SCHEMBL9377531 | 0.91 | SIGMAR1 (1.00) | SIGMAR1S1PR1S1PR3HTR1APARP1 | |
| SCHEMBL9375288 | 0.87 | SIGMAR1 (0.92) | SIGMAR1S1PR1S1PR3DRD2HTR1A | |
| Fumaric Acid SCHEMBL7658104 | 0.79 | SIGMAR1 (0.53) | SIGMAR1DRD2HTR1APARP1PPARG | |
| Fumaric Acid SCHEMBL7658099 | 0.79 | SIGMAR1 (0.53) | SIGMAR1DRD2HTR1APARP1PPARG | |
| SCHEMBL10287534 | 0.76 | SIGMAR1 (0.71) | SIGMAR1DRD2HTR1A | |
| SCHEMBL5771973 | 0.75 | DRD2 (0.69) | SIGMAR1DRD2HTR1APPARGPPARA | |
| SCHEMBL9466832 | 0.74 | SIGMAR1 (1.00) | SIGMAR1DRD2PARP1 | |
| SCHEMBL5846298 | 0.74 | SIGMAR1 (0.68) | SIGMAR1DRD2HTR1APARP1 | |
| SCHEMBL9531074 | 0.74 | SIGMAR1 (0.74) | SIGMAR1DRD2HTR1APPARGPPARA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| EP-0507863-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | — | 1993-07-07 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |
| EP-0507863-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | disclosed |