Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.33 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL28249660 | 1.00 | CES2 (0.35) | CES2CES1AKR1C3AKR1C2FFAR1 | |
| SCHEMBL28249648 | 0.82 | SLC6A3 (0.36) | — | |
| SCHEMBL28249646 | 0.82 | SLC6A3 (0.36) | — | |
| SCHEMBL28865707 | 0.79 | PYCR1 (0.36) | — | |
| SCHEMBL28865706 | 0.79 | PYCR1 (0.36) | — | |
| SCHEMBL25207508 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL28865641 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL28684586 | 0.78 | PDE2A (0.41) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL28250343 | 0.76 | AOC3 (0.38) | — | |
| SCHEMBL28250340 | 0.76 | AOC3 (0.38) | — |
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-108722484-B | Composition for preparing propargyl ether | 四川大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-108722484-A | A kind of composition preparing propargyl ether | 四川大学 | 2018-11-02 | — | — | CN | disclosed |