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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | RXRB | P28702 | 2/20 | 0.44 |
| ▸ | RXRG | P48443 | 2/20 | 0.44 |
| ▸ | TACR1 | P25103 | 10/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | ICMT | O60725 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2484345 | 0.89 | IDO1 (0.48) | RXRARXRBRXRGTACR1IDO1 | |
| Hydrochloric Acid SCHEMBL3143821 | 0.88 | IDO1 (0.50) | RXRARXRBRXRGTACR1IDO1 | |
| Hydrochloric Acid SCHEMBL3152131 | 0.88 | IDO1 (0.50) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL5389064 | 0.79 | RXRA (0.49) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL1432864 | 0.78 | NOTUM (0.45) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL30875890 | 0.78 | GRIN2B (0.43) | RXRARXRBRXRGTACR1IDO1 | |
| Hydrochloric Acid SCHEMBL5394073 | 0.78 | RXRA (0.48) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL21319634 | 0.77 | TACR1 (0.40) | RXRARXRBRXRGTACR1ALDH1A1 | |
| SCHEMBL504122 | 0.76 | RXRA (0.68) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL27689001 | 0.76 | TACR1 (0.43) | RXRARXRBRXRGTACR1IDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |