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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 SCHEMBL6994531 | 1.00 | SLC6A12 (0.45) | SLC6A12ACHESIGMAR1CYP3A4MEN1 | |
| Fumaric Acid SCHEMBL6994532 | 1.00 | SLC6A12 (0.45) | SLC6A12ACHESIGMAR1CYP3A4MEN1 | |
| Fumaric Acid SCHEMBL6994539 | 1.00 | SLC6A12 (0.45) | SLC6A12ACHESIGMAR1CYP3A4MEN1 | |
| SCHEMBL6995337 | 0.93 | ACHE (0.48) | SLC6A12ACHESIGMAR1MEN1KMT2A | |
| SCHEMBL6995343 | 0.93 | ACHE (0.48) | SLC6A12ACHESIGMAR1MEN1KMT2A | |
| SCHEMBL6995341 | 0.93 | ACHE (0.48) | SLC6A12ACHESIGMAR1MEN1KMT2A | |
| SCHEMBL6999331 | 0.84 | HTR1A (0.43) | SIGMAR1GAA | |
| SCHEMBL6999326 | 0.84 | HTR1A (0.43) | SIGMAR1GAA | |
| SCHEMBL6999335 | 0.84 | HTR1A (0.43) | SIGMAR1GAA | |
| SCHEMBL6993213 | 0.83 | ACHE (0.46) | SLC6A12ACHESIGMAR1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015446-B1 | (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS | AVENTIS PHARMA INC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6004982-A | SIDE EFFECT REDUCTION; SCHIZOPHRENIA | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |