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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.69 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.69 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | INMT | O95050 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
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 SCHEMBL18586002 | 0.96 | TSHR (0.75) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL10749964 | 0.96 | TSHR (0.75) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL10401872 | 0.92 | TSHR (0.69) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL4838658 | 0.88 | TSHR (0.90) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL5556979 | 0.88 | TSHR (0.90) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL7568616 | 0.88 | TSHR (0.90) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL4838648 | 0.88 | TSHR (0.90) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL8584098 | 0.84 | TSHR (0.82) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL3254191 | 0.84 | TSHR (0.82) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL615 | 0.83 | — | — |
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-20090298953-A1 | Drug delivery system and method of making the same | IRAN POLYMER AND PETROCHEMICAL INSTITUTE (IR) | 2009-12-03 | — | — | US | disclosed |