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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 5/20 | 0.48 |
| ▸ | MTOR known ✓ | P42345 | 3/20 | 0.39 |
| ▸ | PIK3R1 known ✓ | P27986 | 1/20 | 0.39 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | PIK3CD known ✓ | O00329 | 3/20 | 0.37 |
| ▸ | PIK3CG known ✓ | P48736 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL11850337 | 1.00 | PIK3CA (0.48) | PIK3CAKDM4ECYP3A4HSD17B10HTR6 | |
| SCHEMBL11849800 | 0.90 | PIK3CA (0.53) | PIK3CAKDM4EHTR6ALDH1A1HPGD | |
| SCHEMBL11866288 | 0.90 | PIK3CA (0.53) | PIK3CAKDM4EHTR6ALDH1A1HPGD | |
| SCHEMBL11860847 | 0.83 | PIK3CA (0.59) | PIK3CAKDM4EHSD17B10MTORPIK3R1 | |
| SCHEMBL11856867 | 0.79 | PIK3CA (0.51) | PIK3CAMTORPIK3R1HRH4PIK3CD | |
| SCHEMBL11849344 | 0.79 | GLA (0.52) | KDM4EHSD17B10HTR6ALDH1A1HPGD | |
| SCHEMBL11859522 | 0.78 | PIK3CA (0.50) | PIK3CAKDM4EHSD17B10MTORPIK3R1 | |
| SCHEMBL11851990 | 0.78 | SLC6A7 (0.52) | PIK3CAKDM4EMTORPIK3R1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11862975 | 0.78 | PIK3CA (0.54) | PIK3CAKDM4EHSD17B10MTORALDH1A1 | |
| Hydrochloric Acid SCHEMBL11860215 | 0.78 | GLA (0.51) | KDM4EHSD17B10HTR6ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3939268-A | 2,4-Diamino substituted pyridol(3,2-d)pyrimidine as antithrombotic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1976-02-17 | — | — | US | disclosed |