Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11197865 | 0.79 | AOC3 (0.39) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL28866576 | 0.79 | ACHE (0.38) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL8375069 | 0.77 | ACHE (0.36) | ACHETAAR1NFE2L2ALDH1A1ALOX15 | |
| SCHEMBL4660214 | 0.75 | AOC3 (0.45) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL31469262 | 0.75 | AOC3 (0.45) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4660143 | 0.73 | AOC3 (0.44) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL20886039 | 0.72 | CYP3A4 (0.45) | ALDH1A1ALOX15CYP3A4CYP2C9IDO1 | |
| SCHEMBL28422866 | 0.71 | AOC3 (0.34) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL163434 | 0.70 | ACHE (0.39) | AOC3ACHETAAR1NFE2L2ALDH1A1 | |
| SCHEMBL29523028 | 0.70 | ACHE (0.39) | AOC3ACHETAAR1NFE2L2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071500-A | Process for preparing 5-hydroxyalkyl-substituted 1-phenyl-1, 2, 4-triazole derivatives | 拜耳制药股份公司 | 2018-12-21 | — | — | CN | disclosed |