Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.48 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | STK10 | O94804 | 3/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598622 | 0.80 | HSD11B1 (0.46) | HSD11B1CRHR1SMN1; SMN2TACR1 | |
| SCHEMBL28594196 | 0.80 | HSD11B1 (0.48) | HSD11B1CRHR1ALDH1A1PDK2P2RX7 | |
| SCHEMBL1263973 | 0.78 | HSD11B1 (0.59) | HSD11B1SMN1; SMN2ALDH1A1MAPK1CA1 | |
| SCHEMBL21376359 | 0.78 | PARP1 (0.39) | HSD11B1SMN1; SMN2STK10SLKALDH1A1 | |
| SCHEMBL28918938 | 0.72 | HSD11B1 (0.38) | HSD11B1SMN1; SMN2ALDH1A1CA1CA2 | |
| SCHEMBL1231755 | 0.71 | HSD11B1 (0.38) | HSD11B1ALDH1A1P2RX7 | |
| SCHEMBL1989550 | 0.71 | AR (0.44) | HSD11B1ALDH1A1P2RX7CYP1A2 | |
| SCHEMBL3379939 | 0.69 | NOS3 (0.36) | ALDH1A1MAPK1P2RX7 | |
| SCHEMBL21192823 | 0.69 | P2RX7 (0.41) | HSD11B1P2RX7 | |
| SCHEMBL29447944 | 0.69 | CA1 (0.54) | HSD11B1SMN1; SMN2ALDH1A1CA1CA2 |
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-112939818-B | Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride | 江苏扬农化工股份有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-112939818-A | Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride | 江苏扬农化工股份有限公司 | 2021-06-11 | — | — | CN | disclosed |