Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL55504 | 0.87 | AKR1B1 (0.65) | AKR1B1CA2CYP3A4MAPK1GAA | |
| SCHEMBL29397431 | 0.87 | AKR1B1 (0.65) | AKR1B1CA2CYP3A4MAPK1GAA | |
| SCHEMBL1701239 | 0.87 | AKR1B1 (0.65) | AKR1B1CA2CYP3A4MAPK1GAA | |
| SCHEMBL3234019 | 0.85 | AKR1B1 (0.63) | AKR1B1CA2CYP3A4MAPK1GAA | |
| Ammonia Solution, Strong SCHEMBL2688772 | 0.85 | AKR1B1 (0.63) | AKR1B1CA2CYP3A4MAPK1GAA | |
| Ammonia Solution, Strong SCHEMBL25360718 | 0.85 | AKR1B1 (0.63) | AKR1B1CA2CYP3A4MAPK1GAA | |
| Hydrochloric Acid SCHEMBL29008321 | 0.85 | AKR1B1 (0.63) | AKR1B1CA2GAAKDM4EHPGD | |
| SCHEMBL18191140 | 0.81 | AKR1B1 (0.63) | AKR1B1CA2GAAKDM4EHPGD | |
| SCHEMBL2239127 | 0.80 | AKR1B1 (0.57) | AKR1B1CA2GAAKDM4EALDH1A1 | |
| Dimethylamine SCHEMBL31349920 | 0.80 | AKR1B1 (0.57) | AKR1B1CA2KDM4EALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116338026-A | Liquid chromatography tandem mass spectrometry detection method for detecting pesticides and metabolites thereof in protein-containing body fluid | 华南农业大学 | 2023-06-27 | — | — | CN | claimed |
| CN-116338026-A | Liquid chromatography tandem mass spectrometry detection method for detecting pesticides and metabolites thereof in protein-containing body fluid | 华南农业大学 | 2023-06-27 | — | — | CN | disclosed |