Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6829524 | 0.82 | AOC3 (0.44) | AOC3 | |
| SCHEMBL13268126 | 0.80 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C19AOC3CHRNA7 | |
| SCHEMBL6826547 | 0.79 | AOC3 (0.49) | CYP2D6CYP2C19AOC3CYP1A2TAAR1 | |
| SCHEMBL10021110 | 0.76 | PGR (0.42) | CYP3A4CYP2D6CYP2C19AOC3CHRNA7 | |
| SCHEMBL27968372 | 0.74 | CHRNA7 (0.39) | CYP3A4CYP2D6CYP2C19AOC3CHRNA7 | |
| SCHEMBL11506989 | 0.71 | CYP1A2 (0.41) | CYP3A4CYP2C19CYP1A2ACHETSHR | |
| SCHEMBL11302427 | 0.70 | HPGD (0.44) | CYP3A4CYP2D6CYP2C19CHRNA7ACHE | |
| SCHEMBL1932757 | 0.70 | CHRNA7 (0.39) | CHRNA7ACHEALOX5 | |
| SCHEMBL7151036 | 0.70 | TAAR1 (0.64) | CYP3A4TAAR1TSHRNR3C2SLC6A2 | |
| SCHEMBL307896 | 0.70 | CHRNA7 (0.39) | CHRNA7ACHEALOX5 |
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 |