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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7704079 | 0.86 | TACR1 (0.69) | TACR1 | |
| SCHEMBL6016597 | 0.84 | TACR1 (0.52) | TACR1SGMS2 | |
| SCHEMBL17476477 | 0.78 | TACR1 (0.83) | TACR1 | |
| SCHEMBL6016646 | 0.76 | TACR1 (0.63) | TACR1SGMS2 | |
| SCHEMBL6016561 | 0.75 | TACR1 (0.52) | TACR1SGMS2 | |
| SCHEMBL4125241 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL7707100 | 0.75 | TACR1 (0.64) | TACR1 | |
| SCHEMBL6016529 | 0.75 | TACR1 (0.54) | TACR1 | |
| SCHEMBL6016476 | 0.75 | TACR1 (0.64) | TACR1 | |
| SCHEMBL905345 | 0.74 | TACR1 (0.80) | TACR1SGMS2 |
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 |