Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2567865 | 0.85 | CYP1A2 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13545979 | 0.83 | PLK1 (0.43) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL28816669 | 0.80 | PLK1 (0.39) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL2139059 | 0.78 | ALDH1A1 (0.48) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29620241 | 0.77 | KDM4E (0.41) | CYP1A2CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL25368994 | 0.77 | CYP1A2 (0.41) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL21854494 | 0.76 | GLP1R (0.46) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL3714376 | 0.76 | CYP1A2 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21854511 | 0.73 | ALDH1A1 (0.42) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL22952394 | 0.73 | ALDH1A1 (0.43) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021139482-A1 | CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2021-07-15 | — | — | WO | disclosed |