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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.43 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.43 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
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 SCHEMBL7990218 | 1.00 | HTR2A (0.45) | HTR2ADRD4HTR1ADRD2HTR2C | |
| Fumaric Acid SCHEMBL7993170 | 0.99 | HTR2A (0.46) | HTR2ADRD4HTR1ADRD2HTR2C | |
| Maleic Acid SCHEMBL7993166 | 0.99 | HTR2A (0.46) | HTR2ADRD4HTR1ADRD2HTR2C | |
| SCHEMBL7990156 | 0.92 | HTR2A (0.51) | HTR2ADRD4HTR1ADRD2HTR2C | |
| SCHEMBL7991154 | 0.76 | — | — | |
| SCHEMBL7991135 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7991680 | 0.76 | — | — | |
| SCHEMBL7993126 | 0.75 | HTR2A (0.47) | HTR2ADRD4HTR1ADRD2HTR2C | |
| SCHEMBL7979554 | 0.75 | — | — | |
| SCHEMBL7978741 | 0.72 | HTR1A (0.61) | DRD4HTR1ADRD2ADRA1A |
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-6284775-B1 | PSYCHOLOGICAL DISORDERS | AVENTIS PHARMACEUTICALS INC. | 2001-09-04 | — | — | US | disclosed |
| US-5371087-A | Antipsychotic, analgesics, anticonvulsant and anxiolytic agent | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-12-06 | — | — | US | disclosed |
| US-5229388-A | 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-07-20 | — | — | US | disclosed |
| US-5136037-A | 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-08-04 | — | — | US | disclosed |
| US-5037984-A | Anticonvulsants; anxiolytic agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-08-06 | — | — | US | disclosed |
| US-4933453-A | ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-12 | — | — | US | disclosed |