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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 SCHEMBL6588817 | 1.00 | MAPT (0.56) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6589376 | 0.96 | MAPT (0.61) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6588710 | 0.96 | MAPT (0.61) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6591085 | 0.95 | CYP1A2 (0.60) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Cadaverine Tartrate SCHEMBL6590121 | 0.92 | MAPT (0.55) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Cadaverine Tartrate SCHEMBL6589585 | 0.92 | MAPT (0.55) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL6595339 | 0.92 | MAPT (0.58) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL6589408 | 0.88 | CYP1A2 (0.68) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6589249 | 0.85 | ALDH1A1 (0.54) | KMT2AABCB1ALDH1A1POLBMEN1 | |
| Hydrochloric Acid SCHEMBL6586761 | 0.83 | ALDH1A1 (0.52) | MAPTTSHRKMT2AALDH1A1TP53 |
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-1186601-B1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 2004-03-24 | — | — | EP | disclosed |
| EP-1186601-A1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |