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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 10/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 7/20 | 0.50 |
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.50 |
| ▸ | DRD2 known ✓ | P14416 | 7/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.50 |
| ▸ | DRD3 | P35462 | 9/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 SCHEMBL11086806 | 1.00 | KCNH2 (0.50) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL4712416 | 0.72 | SLC6A2 (0.61) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL4711836 | 0.70 | SLC6A2 (0.68) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| Hydrochloric Acid SCHEMBL11073347 | 0.70 | SLC6A2 (0.62) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| Hydrochloric Acid SCHEMBL11625385 | 0.69 | SLC6A2 (0.66) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL4710953 | 0.69 | SLC6A2 (0.56) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL4759433 | 0.68 | SLC6A2 (0.69) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| Bicifadine SCHEMBL14520900 | 0.68 | SLC6A2 (1.00) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL4713090 | 0.68 | SLC6A2 (0.69) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 | |
| SCHEMBL14520924 | 0.68 | SLC6A2 (0.68) | KCNH2SLC6A2SLC6A4SLC6A3DRD3 |
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-4435419-A | Method of treating depression using azabicyclohexanes | AMERICAN CYANAMID COMPANY (US) | 1984-03-06 | — | — | US | disclosed |