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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | FNTA | P49354 | 2/20 | 0.33 |
| ▸ | FNTB | P49356 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2196941 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRFNTAFNTBTHRB | |
| SCHEMBL16262531 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRFNTAFNTBTHRB | |
| Methacrylic Acid SCHEMBL7638298 | 0.91 | ALDH1A1 (0.52) | ALDH1A1TSHRFNTAFNTBTHRB | |
| SCHEMBL6413754 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TSHRFNTAFNTBTHRB | |
| SCHEMBL1133779 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TSHRFNTAFNTBTHRB | |
| SCHEMBL20357568 | 0.86 | TSHR (0.50) | ALDH1A1TSHRFNTAFNTBTHRB | |
| Acrylonitrile SCHEMBL6817927 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRFNTAFNTBTHRB | |
| SCHEMBL8068615 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRFNTAFNTBTHRB | |
| Styrene SCHEMBL2134956 | 0.81 | LMNA (0.39) | ALDH1A1TSHRPOLBCES1 | |
| Acrylic Acid Ethyl Ester SCHEMBL7595535 | 0.81 | TSHR (0.42) | ALDH1A1HCAR2TSHRTHRBALOX15 |
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-4439555-A | DITHIOCARBAMATES OR THIURAM SULFIDES, TIN COMPOUND | NIPPON OIL AND FATS CO., LTD. (JP) | 1984-03-27 | — | — | US | disclosed |