Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL13685998 | 0.83 | AR (0.47) | ARCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL1051707 | 0.83 | AR (0.47) | ARCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL9941766 | 0.83 | AR (0.52) | ARCYP46A1NR1I2NR3C1PGR | |
| SCHEMBL9941767 | 0.83 | AR (0.52) | ARCYP46A1NR1I2NR3C1PGR | |
| SCHEMBL6384727 | 0.82 | AR (0.43) | ARCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL523374 | 0.82 | PDK1 (0.46) | ARCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL523375 | 0.82 | PDK1 (0.46) | ARCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL524307 | 0.81 | AR (0.50) | ARCYP46A1NR1I2NR3C1PGR | |
| SCHEMBL30436667 | 0.81 | AR (0.50) | ARCYP46A1NR1I2NR3C1PGR | |
| SCHEMBL524308 | 0.81 | AR (0.50) | ARCYP46A1NR1I2NR3C1PGR |
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-7439400-B2 | Amino alcohol ligand and its use in preparation of chiral proparglic tertiary alcohols and tertiary amines via enantioselective addition reaction | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2008-10-21 | — | — | US | disclosed |