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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 13/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 12/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9863998 | 1.00 | SLC6A4 (0.51) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9863950 | 0.91 | SLC6A4 (0.61) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| Maleic Acid SCHEMBL9864047 | 0.90 | SLC6A4 (0.51) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| Fumaric Acid SCHEMBL9864056 | 0.90 | SLC6A4 (0.51) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9864068 | 0.81 | SLC6A4 (0.58) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9864232 | 0.81 | SLC6A4 (0.58) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9863748 | 0.81 | SLC6A4 (0.42) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9863883 | 0.80 | CYP3A4 (0.63) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL9864044 | 0.80 | SLC6A4 (0.62) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL5668946 | 0.79 | SLC6A4 (0.61) | SLC6A4SLC6A3CYP3A4ALOX15TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5047432-A | Antidepressants | THE BOOTS COMPANY PLC (GB) | 1991-09-10 | — | — | US | disclosed |
| US-4925879-A | ANTIDEPRESSANTS | BOOTS COMPANY, PLC (GB) | 1990-05-15 | — | — | US | disclosed |
| EP-0191542-B1 | ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES | The Boots Company PLC (GB) | 1988-06-08 | — | — | EP | disclosed |
| EP-0191542-A1 | Arylcyclobutylalkyl amines and their use as antidepressive medicines | The Boots Company PLC (GB) | 1986-08-20 | — | — | EP | disclosed |