Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28081740 | 0.87 | CES2 (0.62) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL28272323 | 0.87 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL93276 | 0.87 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL29368196 | 0.87 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| Fluoromethane SCHEMBL28186119 | 0.85 | CES2 (0.60) | CES2CES1ALDH1A1POLBALOX15 | |
| Phosphine SCHEMBL28793716 | 0.85 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Fluoride SCHEMBL28124330 | 0.85 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Selenium SCHEMBL30382145 | 0.85 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Methane SCHEMBL27605788 | 0.85 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Benzene SCHEMBL27886201 | 0.85 | ALDH1A1 (0.70) | CES2CES1ALDH1A1POLBALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107782834-A | A kind of rapid analysis method for being directed to biogenic amine in fish | 中国科学院大连化学物理研究所 | 2018-03-09 | — | — | CN | claimed |
| CN-107782834-A | A kind of rapid analysis method for being directed to biogenic amine in fish | 中国科学院大连化学物理研究所 | 2018-03-09 | — | — | CN | disclosed |
| CN-105566340-A | White mulberry root-bark active ingredient Morusin derivative and application and preparation method thereof | UNIV GUIZHOU | 2016-05-11 | — | — | CN | disclosed |