Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1586647 | 0.96 | ALDH1A1 (0.33) | ERN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL12344019 | 0.79 | PAK4 (0.35) | ERN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL3254688 | 0.78 | RAB9A (0.33) | ERN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL12340657 | 0.78 | — | — | |
| SCHEMBL13183455 | 0.75 | RAB9A (0.32) | ALDH1A1GAAMAPTHTT | |
| SCHEMBL28089136 | 0.71 | — | — | |
| SCHEMBL16937261 | 0.71 | RAB9A (0.30) | — | |
| SCHEMBL14869788 | 0.71 | — | — | |
| SCHEMBL29772829 | 0.71 | — | — | |
| SCHEMBL16373265 | 0.71 | ALDH1A1 (0.33) | ALDH1A1MAPTIRAK4 |
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-105753856-B | A kind of preparation and application of the difluoromethyl pyrazole class compound of the structure of oxadiazoles containing 1,3,4- | 南通大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-105753856-A | Preparation and application of difluoromethyl pyrazole compound comprising 1,3,4-oxadiazole structure | 南通大学 | 2016-07-13 | — | — | CN | disclosed |