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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
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 SCHEMBL7722943 | 1.00 | MAPT (0.51) | MAPTKDM4EALDH1A1CYP1A2MITF | |
| Fumaric Acid SCHEMBL7065558 | 0.95 | MAPT (0.46) | MAPTKDM4EALDH1A1CYP1A2MITF | |
| Bicarbonate SCHEMBL8082241 | 0.90 | MAPT (0.57) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| Oxalic Acid SCHEMBL7825836 | 0.88 | MAPT (0.56) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| Carbamic Acid SCHEMBL28412507 | 0.86 | MAPT (0.54) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| Acetic Acid SCHEMBL6535946 | 0.86 | MAPT (0.54) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| Benzene SCHEMBL29053622 | 0.86 | MAPT (0.50) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| Urea SCHEMBL28255233 | 0.84 | MAPT (0.51) | MAPTKDM4EALDH1A1CYP1A2CA12 | |
| SCHEMBL29370549 | 0.84 | MAPT (0.50) | MAPTKDM4EALDH1A1CA12CA1 | |
| SCHEMBL27392334 | 0.84 | MAPT (0.50) | MAPTKDM4EALDH1A1CA12CA1 |
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-RE37729-E1 | 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility | AVENTIS PHARMACEUTICALS INC. | 2002-06-04 | — | — | US | disclosed |