Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | DRD1 known ✓ | P21728 | 15/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 8/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8747197 | 1.00 | DRD1 (0.48) | DRD1DRD2DRD5DRD4CYP1A2 | |
| SCHEMBL8747039 | 0.92 | DRD1 (0.46) | DRD1DRD2DRD5DRD4CYP1A2 | |
| Bromide SCHEMBL8747293 | 0.91 | DRD1 (0.46) | DRD1DRD2DRD5DRD4CYP1A2 | |
| SCHEMBL8747135 | 0.88 | DRD1 (0.45) | DRD1DRD2DRD5DRD4CYP1A2 | |
| Bromide SCHEMBL8747292 | 0.87 | DRD1 (0.44) | DRD1DRD2DRD5DRD4CYP1A2 | |
| SCHEMBL8747199 | 0.82 | HDAC1 (0.35) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747109 | 0.82 | DRD1 (0.43) | DRD1DRD2DRD5DRD4TSHR | |
| Bromide SCHEMBL8747266 | 0.81 | NR1I2 (0.42) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747024 | 0.81 | DRD1 (0.47) | DRD1DRD2DRD5DRD4TSHR | |
| Hydrochloric Acid SCHEMBL8746990 | 0.80 | DRD1 (0.46) | DRD1DRD2DRD5DRD4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |