Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL28077388 | 0.84 | TP53 (0.61) | ALDH1A1MAPTAKR1B1CES2CES1 | |
| Bicarbonate SCHEMBL29051241 | 0.83 | GABRA1 (0.55) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| Bicarbonate SCHEMBL14635340 | 0.83 | GABRA1 (0.55) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| Hydrogen Peroxide SCHEMBL10890655 | 0.83 | GABRA1 (0.60) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| Hydrogen Peroxide SCHEMBL11205186 | 0.83 | GABRA1 (0.60) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| SCHEMBL6430884 | 0.82 | CLCN2 (0.42) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| SCHEMBL7336703 | 0.81 | AKR1B1 (0.41) | GABRA1GABRB2ALDH1A1MAPTCLCN2 | |
| Acetic Acid SCHEMBL1724578 | 0.80 | GABRA1 (0.52) | GABRA1GABRB2ALDH1A1CLCN2AKR1B1 | |
| Benzene SCHEMBL3122858 | 0.80 | TP53 (0.56) | GABRA1GABRB2MAPTCLCN2AKR1B1 | |
| Benzene SCHEMBL11603070 | 0.80 | TP53 (0.56) | GABRA1GABRB2MAPTCLCN2AKR1B1 |
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-1917847-A | Metal oxide particles as radical scavengers for use in sunscreen and cosmetic compositions | OXONICA LTD (GB) | 2007-02-21 | — | — | CN | disclosed |