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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.71 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.71 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.71 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.71 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.71 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.71 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.71 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.64 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 19/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.71 |
| ▸ | FYN | P06241 | 2/20 | 0.71 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.71 |
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 SCHEMBL10555182 | 0.95 | CYP3A4 (0.65) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| Fumaric Acid SCHEMBL10559905 | 0.94 | CYP3A4 (0.70) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10556552 | 0.91 | CYP3A4 (0.73) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10555491 | 0.91 | CYP3A4 (0.71) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10552074 | 0.91 | CYP3A4 (0.72) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10556989 | 0.90 | CYP3A4 (0.69) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10552915 | 0.89 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10558945 | 0.89 | CYP3A4 (0.67) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10557997 | 0.88 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10557665 | 0.88 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1FYNNR1I2 |
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-4833141-A | FUNGICIDES | HEUMANN PHARMA GMBH & CO. (DE) | 1989-05-23 | — | — | US | disclosed |