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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
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 SCHEMBL9596362 | 1.00 | CYP2D6 (0.49) | CYP2D6HCAR2ALDH1A1KDM4EMAPT | |
| SCHEMBL9596277 | 0.88 | CYP2D6 (0.61) | CYP2D6ALDH1A1KMT2AMC4RCCR5 | |
| SCHEMBL48088 | 0.88 | CYP2D6 (0.61) | CYP2D6ALDH1A1KMT2AMC4RCCR5 | |
| SCHEMBL2916607 | 0.88 | CYP2D6 (0.61) | CYP2D6ALDH1A1KMT2AMC4RCCR5 | |
| Ethane SCHEMBL9682617 | 0.87 | CYP2D6 (0.59) | CYP2D6ALDH1A1KMT2AMC4RCCR5 | |
| SCHEMBL9596360 | 0.76 | CYP2D6 (0.46) | CYP2D6HCAR2ALDH1A1KMT2AMC4R | |
| SCHEMBL9137138 | 0.76 | CYP2D6 (0.58) | CYP2D6ALDH1A1KDM4EMAPTMC4R | |
| SCHEMBL5275767 | 0.76 | CYP2D6 (0.58) | CYP2D6ALDH1A1KDM4EMAPTMC4R | |
| SCHEMBL9682547 | 0.74 | CYP2D6 (0.52) | CYP2D6ALDH1A1KMT2AMC4RCCR5 | |
| SCHEMBL6097455 | 0.74 | CYP2D6 (0.65) | CYP2D6ALDH1A1KMT2AMC4RCCR5 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5183902-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-02-02 | — | — | US | disclosed |
| US-5151418-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-09-29 | — | — | US | disclosed |
| US-5068231-A | Ureas and thioureas for relaxing muscles | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-11-26 | — | — | US | disclosed |
| US-4956359-A | CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES | A. H. ROBINS COMPANY, INC. (US) | 1990-09-11 | — | — | US | disclosed |
| EP-0102740-B1 | N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-11-05 | — | — | EP | disclosed |
| EP-0102194-B1 | 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-10-22 | — | — | EP | disclosed |
| US-4571393-A | ANTICONVULSANT TREATMENT FOR MAMMALS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1986-02-18 | — | — | US | disclosed |
| US-4505907-A | ANTICONVULSANTS | A. H. ROBINS COMPANY, INC. (US) | 1985-03-19 | — | — | US | disclosed |
| EP-0102740-A1 | N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use | A.H. ROBINS COMPANY, INCORPORATED (US) | 1984-03-14 | — | — | EP | disclosed |
| EP-0102194-A1 | 3-Phenoxy-1-azetidinecarboxamides and their use and preparation | A.H. ROBINS COMPANY, INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4379151-A | 3-Phenoxyazetidines for anorexigenic activity | A. H. ROBINS COMPANY, INC. (US) | 1983-04-05 | — | — | US | disclosed |