Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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 | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | SLC6A4 known ✓ | P31645 | 5/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
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 SCHEMBL467223 | 1.00 | CYP1A2 (0.77) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL3715253 | 0.88 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL9366741 | 0.86 | CYP1A2 (0.96) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL29766950 | 0.81 | CYP1A2 (0.79) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL9366928 | 0.78 | CYP2D6 (0.79) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL29154466 | 0.78 | CYP1A2 (0.79) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL9366991 | 0.78 | CYP1A2 (0.79) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL10317634 | 0.76 | CYP1A2 (0.76) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL9410796 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL4855890 | 0.75 | CYP1A2 (0.74) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150119327-A1 | DRUG SCREENING PLATFORM FOR RETT SYNDROME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-04-30 | — | — | US | claimed |
| US-20230142111-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-11 | — | — | US | disclosed |
| US-11213494-B2 | Compositions and methods for the treatment of pervasive development disorders | CASE WESTERN RESERVE UNIVERSITY (US) | 2022-01-04 | — | — | US | disclosed |
| US-20210113589-A1 | TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS | 2021-04-22 | — | — | US | disclosed |
| US-10898496-B2 | Targeting NCCa-ATP channel for organ protection following ischemic episode | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2021-01-26 | — | — | US | disclosed |
| US-10555916-B2 | NMDAR antagonist for the treatment of pervasive development disorders | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-02-11 | — | — | US | disclosed |
| EP-3485882-A1 | COMPOSITIONS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | Case Western Reserve University (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20190117672-A1 | TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE | UNIVERSITY OF MARYLAND, BALTIMORE | 2019-04-25 | — | — | US | disclosed |
| US-20190111137-A1 | METHODS FOR ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS | UNIVERSITY OF MARYLAND, BALTIMORE | 2019-04-18 | — | — | US | disclosed |
| EP-2948135-B1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | UNIV CASE WESTERN RESERVE (US) | 2019-01-02 | — | — | EP | disclosed |
| WO-2011144721-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |
| EP-2388005-A1 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-11-23 | — | — | EP | disclosed |
| US-20110263478-A1 | SUR1 INHIBITORS FOR THERAPY | UNIVERSITY OF MARYLAND, BALTIMORE | 2011-10-27 | — | — | US | disclosed |
| WO-2011095584-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-08-11 | — | — | WO | disclosed |
| EP-2353598-A1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-08-10 | — | — | EP | disclosed |
| EP-2338492-A1 | Methods and compositions for the treatment of alzheimer | Universidad del Pais Vasco (ES) | 2011-06-29 | — | — | EP | disclosed |
| US-20100311639-A1 | INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY | MARYLAND, BALTIMORE, UNIVERSITY OF | 2010-12-09 | — | — | US | disclosed |
| US-20100143347-A1 | TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE | THE UNIVERSITY OF MARYLAND, BALTIMORE | 2010-06-10 | — | — | US | disclosed |
| US-20100092469-A1 | ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS | THE U.S. OF AMERICA AS REPRESENTED BY THE DEPT OF VETERANS AFFAIRS | 2010-04-15 | — | — | US | disclosed |
| EP-1829534-A1 | Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230142111-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | GRIN2D, GRIN2A, GRIN2C | HRH3 2105/4885SLC6A4 86/4885SLC6A2 141/4885 |
| US-20150119327-A1 | DRUG SCREENING PLATFORM FOR RETT SYNDROME | GRIN2A, GRIN1, GRIN2B | HRH3 1709/4885SLC6A4 238/4885SLC6A2 272/4885 |
| US-11213494-B2 | Compositions and methods for the treatment of pervasive development disorders | GRIN2A, GRIN2C, GRIN2D | HRH3 2655/4885SLC6A4 89/4885SLC6A2 126/4885 |
| US-10555916-B2 | NMDAR antagonist for the treatment of pervasive development disorders | MECP2, GRIN2A, GRIN2B | HRH3 3555/4885SLC6A4 128/4885SLC6A2 197/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.