Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Etafedrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Etafedrine SCHEMBL14384530 | 0.96 | KDM4E (0.68) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| Etafedrine SCHEMBL249050 | 0.96 | KDM4E (0.68) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| Etafedrine SCHEMBL14643068 | 0.96 | KDM4E (0.68) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| Etafedrine SCHEMBL123128 | 0.94 | ALDH1A1 (0.66) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL13359192 | 0.84 | KDM4E (0.61) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL11127338 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL14024243 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL2712000 | 0.81 | KDM4E (0.62) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL30062527 | 0.80 | ALDH1A1 (0.61) | KDM4EALDH1A1AOC3GAASLC6A4 | |
| SCHEMBL22547531 | 0.79 | AOC3 (0.61) | KDM4EALDH1A1AOC3GAASLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| CN-100548290-C | Sulfamate derivatives is used for the treatment of the purposes of impulse control disorder | UNIV CINCINNATI (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-1360500-A | Use of sulfamate derivatives for the treatment of impulse control disorders | UNIV CINCINNATI (US) | 2002-07-24 | — | — | CN | disclosed |