Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | NAPEPLD | Q6IQ20 | 3/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CPS1 | P31327 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 3/20 | 0.30 |
| ▸ | CPT1A | P50416 | 3/20 | 0.30 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 SCHEMBL2726659 | 1.00 | BACE1 (0.33) | BACE1BACE2NAPEPLDTRPV1CPS1 | |
| SCHEMBL6468210 | 0.97 | BACE1 (0.35) | BACE1BACE2NAPEPLDTRPV1CPT2 | |
| SCHEMBL2733371 | 0.97 | BACE1 (0.35) | BACE1BACE2NAPEPLDTRPV1CPT2 | |
| SCHEMBL2727849 | 0.89 | SMN1; SMN2 (0.35) | BACE1NAPEPLDTRPV1CPS1CPT2 | |
| SCHEMBL6466212 | 0.87 | BACE1 (0.37) | BACE1BACE2TRPV1CPS1CPT2 | |
| SCHEMBL2725447 | 0.87 | BACE1 (0.37) | BACE1BACE2TRPV1CPS1CPT2 | |
| SCHEMBL2725449 | 0.87 | BACE1 (0.37) | BACE1BACE2TRPV1CPS1CPT2 | |
| Fumaric Acid SCHEMBL2733058 | 0.86 | BACE1 (0.34) | BACE1BACE2NAPEPLDTRPV1CPT2 | |
| SCHEMBL2726761 | 0.86 | BACE1 (0.45) | BACE1BACE2TRPV1CPT2CPT1A | |
| SCHEMBL2726759 | 0.86 | BACE1 (0.45) | BACE1BACE2TRPV1CPT2CPT1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |