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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | FNTA | P49354 | 11/20 | 0.39 |
| ▸ | FNTB | P49356 | 11/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 9/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL7080525 | 0.96 | CYP11B1 (0.45) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7081731 | 0.95 | CYP11B1 (0.43) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Cadaverine Tartrate SCHEMBL7077587 | 0.93 | CYP11B1 (0.42) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7084883 | 0.93 | CYP11B1 (0.42) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Citric Acid SCHEMBL7084202 | 0.92 | CYP11B1 (0.40) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7075704 | 0.91 | CYP11B1 (0.44) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Maleic Acid SCHEMBL7077075 | 0.86 | CYP11B1 (0.42) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7077644 | 0.86 | CYP11B1 (0.45) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7086535 | 0.86 | CYP11B1 (0.48) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7080944 | 0.85 | CYP11B1 (0.47) | CYP11B1CYP11B2FNTAFNTBPGGT1B |
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-1200430-A4 | THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH | YUHAN CORP LTD (KR) | 2003-01-22 | — | — | EP | disclosed |
| EP-1200430-A1 | THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH | YUHAN CORPORATION, LTD. (KR) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001009128-A1 | THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH | YUHAN CORPORATION (KR) | 2001-02-08 | — | — | WO | disclosed |