Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.36 |
| ▸ | USP2 | O75604 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27996613 | 0.85 | CCR1 (0.32) | GRM2AR | |
| SCHEMBL793884 | 0.83 | KCNJ6 (0.33) | GRM2ALDH1A1ARKCNJ6KCNJ5 | |
| SCHEMBL27996612 | 0.78 | CYP3A4 (0.43) | CYP3A4USP2TSHRALDH1A1KDM4E | |
| SCHEMBL27996609 | 0.78 | GRM2 (0.34) | GRM2 | |
| Ammonia Solution, Strong SCHEMBL27916514 | 0.78 | NOTUM (0.34) | CYP3A4ARCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28205009 | 0.77 | AR (0.40) | GRM2CYP3A4ALDH1A1KDM4EAR | |
| SCHEMBL28205010 | 0.77 | AR (0.40) | GRM2CYP3A4ALDH1A1KDM4EAR | |
| SCHEMBL18238964 | 0.77 | — | — | |
| SCHEMBL27996855 | 0.76 | GRM2 (0.37) | GRM2 | |
| SCHEMBL794303 | 0.76 | HTR3E (0.40) | GRM2SCD |
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-107835803-A | Insecticidal aryl-pyrrolidine alkane, its preparation method and its it is used to prevent and treat the purposes of animal pest as reagent | 拜耳作物科学股份公司 | 2018-03-23 | — | — | CN | disclosed |