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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT2 known ✓ | P23786 | 4/20 | 0.31 |
| ▸ | CPT1B known ✓ | Q92523 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | NAA50 | Q9GZZ1 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | CPS1 | P31327 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 5/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6467190 | 0.97 | TRPV1 (0.37) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL6466293 | 0.91 | TRPV1 (0.36) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL6468465 | 0.91 | TRPV1 (0.36) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL2726767 | 0.89 | TRPV1 (0.36) | TRPV1NAA50AADATSMN1; SMN2CPS1 | |
| Fumaric Acid SCHEMBL2733058 | 0.89 | BACE1 (0.34) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL6468118 | 0.89 | TRPV1 (0.35) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL10291016 | 0.89 | TRPV1 (0.37) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL6468850 | 0.88 | TRPV1 (0.37) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL2727020 | 0.88 | TRPV1 (0.37) | TRPV1BACE1NAA50AADATSMN1; SMN2 | |
| SCHEMBL2727018 | 0.88 | TRPV1 (0.37) | TRPV1BACE1NAA50AADATSMN1; SMN2 |
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 |