Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25375559 | 0.84 | NPSR1 (0.47) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL25431280 | 0.84 | NPSR1 (0.47) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL6829387 | 0.79 | CYP3A4 (0.36) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL5824700 | 0.79 | AOC3 (0.50) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL6829524 | 0.78 | AOC3 (0.44) | AOC3GABBR2GABBR1 | |
| SCHEMBL5865854 | 0.77 | MEN1 (0.51) | AOC3TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL12493635 | 0.77 | ALDH1A1 (0.48) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL11530900 | 0.74 | LTA4H (0.50) | AOC3CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL11507071 | 0.73 | ALOX15 (0.49) | AOC3CYP1A2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL7152554 | 0.73 | AOC3 (0.65) | AOC3CYP1A2CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004043921-A1 | NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. | NATCO PHARMA LIMITED (IN) | 2004-05-27 | — | — | WO | disclosed |