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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.53 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.43 |
| ▸ | PNMT | P11086 | 9/20 | 0.80 |
| ▸ | CCR9 | P51686 | 1/20 | 0.41 |
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 SCHEMBL11483377 | 1.00 | PNMT (0.80) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL11487646 | 0.89 | PNMT (1.00) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL11322181 | 0.81 | PNMT (0.83) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL2401511 | 0.73 | PNMT (0.71) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL1885004 | 0.73 | PNMT (0.71) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| Hydrochloric Acid SCHEMBL1075383 | 0.72 | PNMT (0.69) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL7418309 | 0.72 | PNMT (0.68) | PNMTHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL11441365 | 0.72 | PNMT (0.68) | PNMTHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL8788628 | 0.72 | PNMT (0.68) | PNMTHTR2C | |
| SCHEMBL29941551 | 0.70 | PNMT (1.00) | PNMTADRA2AADRA2BADRA2CHTR2C |
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-4228170-A | INHIBITOR OF PHENYLETHANOLAMINE N-METHYLTRANSFERASE | SMITHKLINE CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |