Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL695902 | 0.81 | IDO1 (0.35) | NOS3NOS1NOS2HSD11B1ALOX5 | |
| SCHEMBL4188982 | 0.81 | IDO1 (0.35) | KDM4EHSD11B1 | |
| SCHEMBL10350653 | 0.79 | PTGS2 (0.55) | PTGS2 | |
| SCHEMBL30548746 | 0.79 | PTGS2 (0.55) | PTGS2 | |
| SCHEMBL14994078 | 0.77 | AR (0.36) | ARNOS3NOS1NOS2 | |
| SCHEMBL23112674 | 0.77 | PTGS2 (0.41) | PTGS2APLNR | |
| SCHEMBL9621575 | 0.77 | DDB1 (0.35) | ALOX5 | |
| SCHEMBL11838548 | 0.76 | IDO1 (0.37) | KDM4ENOS3NOS1NOS2 | |
| SCHEMBL5250851 | 0.76 | IDO1 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL29515337 | 0.75 | ALDH1A1 (0.45) | PTGS2 |
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-109574884-A | A kind of preparation method of 2- (2,2- difluoroethoxy) -6- trifluoromethyl propyl thioether | 淮安国瑞化工有限公司 | 2019-04-05 | — | — | CN | disclosed |