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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.37 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
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 SCHEMBL11157468 | 1.00 | SMN1; SMN2 (0.39) | SMN1; SMN2KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL11155830 | 0.92 | KDM4E (0.38) | SMN1; SMN2KDM4EALDH1A1MAPTDRD2 | |
| SCHEMBL11380656 | 0.82 | KDM4E (0.38) | SMN1; SMN2KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL11168152 | 0.80 | GPR52 (0.41) | KDM4EALDH1A1LMNADRD2DRD1 | |
| SCHEMBL11162257 | 0.79 | PTPN2 (0.38) | DRD2DRD1DRD5 | |
| SCHEMBL11215258 | 0.79 | DRD2 (0.42) | DRD2DRD1DRD5 | |
| SCHEMBL10471907 | 0.79 | DRD1 (0.44) | SMN1; SMN2KDM4EMAPTPMP22MAPK1 | |
| SCHEMBL11168905 | 0.78 | PRNP (0.39) | SMN1; SMN2KDM4EALDH1A1MAPTMEN1 | |
| Bromide SCHEMBL11159318 | 0.78 | DRD1 (0.47) | SMN1; SMN2KDM4EMAPTPMP22MAPK1 | |
| SCHEMBL11216598 | 0.77 | DRD2 (0.41) | KDM4EALDH1A1ADRA2ADRD2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4265890-A | ANTIPSYCHOTIC, ANTIEMETICS | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |