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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19614960 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19628502 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614959 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614952 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614956 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614958 | 0.94 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614954 | 0.88 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614951 | 0.88 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614947 | 0.88 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 | |
| SCHEMBL19614949 | 0.88 | GRIN2B (0.59) | GRIN2BGRIN2CHSD11B1 |
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-3458458-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | Aptinyx Inc. (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017201283-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2017-11-23 | — | — | WO | disclosed |