Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | CES2 | O00748 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | PPARD | Q03181 | 4/20 | 0.42 |
| ▸ | PPARA | Q07869 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28159232 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TDP1TP53 | |
| SCHEMBL105902 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28223547 | 0.94 | — | — | |
| SCHEMBL8162695 | 0.92 | CES1 (0.52) | CES1CES2ALDH1A1TDP1TP53 | |
| SCHEMBL7804616 | 0.92 | CES1 (0.52) | CES1CES2ALDH1A1TDP1TP53 | |
| SCHEMBL23735959 | 0.92 | CES1 (0.52) | CES1CES2ALDH1A1TDP1TP53 | |
| Formaldehyde SCHEMBL10387599 | 0.92 | CES1 (0.52) | CES1CES2ALDH1A1TDP1TP53 | |
| SCHEMBL10432224 | 0.92 | KMT2A (0.58) | CES1CES2ALDH1A1TDP1TP53 | |
| Methyl Alcohol SCHEMBL10660379 | 0.89 | KMT2A (0.62) | CES1CES2ALDH1A1TDP1KMT2A | |
| SCHEMBL23735970 | 0.89 | KMT2A (0.62) | CES1CES2ALDH1A1TDP1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105301151-A | Preprocessing method for GC-MS (gas chromatography-mass spectrometer) detection of volatile substances of millet congee | UNIV SHANXI AGRICULTURAL | 2016-02-03 | — | — | CN | claimed |
| CN-115804418-A | Preparation method for improving coffee bean quality through self-induced anaerobic fermentation and application of preparation method | 中国科学院昆明植物研究所 | 2023-03-17 | — | — | CN | disclosed |
| CN-105301151-A | Preprocessing method for GC-MS (gas chromatography-mass spectrometer) detection of volatile substances of millet congee | UNIV SHANXI AGRICULTURAL | 2016-02-03 | — | — | CN | disclosed |
| CN-105301151-A | Preprocessing method for GC-MS (gas chromatography-mass spectrometer) detection of volatile substances of millet congee | UNIV SHANXI AGRICULTURAL | 2016-02-03 | — | — | CN | disclosed |