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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RHOC | P08134 | 2/20 | 0.41 |
| ▸ | RHOA | P61586 | 2/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL568587 | 0.88 | RHOC (0.46) | TACR1MTORMLYCDRHOCRHOA | |
| Hydrochloric Acid SCHEMBL3143818 | 0.87 | RHOC (0.45) | TACR1MTORMLYCDRHOCRHOA | |
| Hydrochloric Acid SCHEMBL3152128 | 0.87 | RHOC (0.45) | TACR1MTORMLYCDRHOCRHOA | |
| Maleic Acid SCHEMBL17004012 | 0.85 | TACR1 (0.48) | TACR1MTORALDH1A1RHOCRHOA | |
| SCHEMBL4879443 | 0.79 | CYP3A4 (0.41) | TACR1MTORMLYCDALDH1A1RHOC | |
| Hydrochloric Acid SCHEMBL5394069 | 0.78 | CYP3A4 (0.40) | TACR1MTORMLYCDALDH1A1RHOC | |
| Fumaric Acid SCHEMBL7706653 | 0.74 | RXRA (0.44) | TACR1ALDH1A1RXRARXRBRXRG | |
| SCHEMBL16033358 | 0.73 | TACR1 (0.50) | TACR1MTORMLYCDRHOCRHOA | |
| SCHEMBL27689001 | 0.73 | TACR1 (0.43) | TACR1MTORMLYCDALDH1A1LMNA | |
| SCHEMBL4305835 | 0.73 | TACR1 (0.60) | TACR1MTORMLYCDP2RX1TMPRSS4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |