Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL28186919 | 0.82 | ALOX5 (0.38) | FFAR1 | |
| SCHEMBL28924109 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL28924125 | 0.77 | ALDH1A1 (0.42) | ACP3FFAR1 | |
| SCHEMBL28924106 | 0.77 | ALOX5 (0.47) | — | |
| SCHEMBL7206400 | 0.76 | CES2 (0.47) | CES2CES1ACP3FFAR1HSD11B1 | |
| SCHEMBL5353277 | 0.76 | TSHR (0.54) | CES2CES1ACP3FFAR1HSD11B1 | |
| SCHEMBL6908520 | 0.76 | TSHR (0.54) | CES2CES1ACP3FFAR1HSD11B1 | |
| SCHEMBL2683821 | 0.75 | ACP3 (0.45) | CES2CES1ACP3FFAR1HSD11B1 | |
| SCHEMBL29400701 | 0.72 | CES2 (0.55) | CES2CES1ACP3HSD11B1KIF11 | |
| SCHEMBL7570153 | 0.72 | CES2 (0.55) | CES2CES1ACP3HSD11B1KIF11 |
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-115521202-A | Preparation method of alpha-acyloxy ketone containing trifluoromethyl | 温州理工学院 | 2022-12-27 | — | — | CN | disclosed |