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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 SCHEMBL7809157 | 1.00 | PMP22 (0.32) | PMP22NPSR1ALDH1A1CYP3A4TSHR | |
| Fumaric Acid SCHEMBL6969125 | 0.73 | MAPT (0.43) | — | |
| Fumaric Acid SCHEMBL6969133 | 0.73 | MAPT (0.43) | — | |
| Fumaric Acid SCHEMBL7641587 | 0.71 | POLB (0.35) | PMP22NPSR1ALDH1A1CYP3A4TSHR | |
| Fumaric Acid SCHEMBL6969783 | 0.71 | MAPT (0.33) | ALDH1A1CYP3A4TSHRCYP2C19KDM4E | |
| Fumaric Acid SCHEMBL7641596 | 0.71 | POLB (0.35) | PMP22NPSR1ALDH1A1CYP3A4TSHR | |
| Fumaric Acid SCHEMBL6969770 | 0.71 | MAPT (0.33) | ALDH1A1CYP3A4TSHRCYP2C19KDM4E | |
| Fumaric Acid SCHEMBL7813556 | 0.70 | ADRA1D (0.40) | — | |
| Fumaric Acid SCHEMBL7813557 | 0.70 | ADRA1D (0.40) | — | |
| Hydrochloric Acid SCHEMBL7803733 | 0.70 | ADRA1D (0.54) | — |
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-0889891-B1 | 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO MCNEIL PHARM INC (US) | 2001-06-06 | — | — | EP | disclosed |
| US-5621113-A | ALPHA 2 ADRENOCEPTOR AGONISTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-04-15 | — | — | US | disclosed |