Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2270719 | 0.85 | AOC3 (0.43) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL15445213 | 0.83 | AOC3 (0.43) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL17084072 | 0.83 | AOC3 (0.43) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL25704721 | 0.83 | AOC3 (0.43) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL12872171 | 0.83 | ESR1 (0.45) | SLC6A2SLC6A3AOC3LMNAALDH1A1 | |
| SCHEMBL19494020 | 0.81 | TAAR1 (0.42) | AOC3LMNAALDH1A1MAPTCHRM2 | |
| SCHEMBL17086661 | 0.75 | AOC3 (0.42) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL17086659 | 0.75 | AOC3 (0.42) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL16224877 | 0.75 | AOC3 (0.42) | SLC6A2SLC6A3AOC3SLC6A4LMNA | |
| SCHEMBL15929826 | 0.74 | AOC3 (0.42) | SLC6A2SLC6A3AOC3SLC6A4NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900241-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-08 | — | — | EP | disclosed |