Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6111703 | 0.83 | AKR1C3 (0.55) | AKR1C3AKR1C2S1PR1S1PR3ALDH1A1 | |
| SCHEMBL30309562 | 0.83 | ALDH1A1 (0.39) | TSHRALDH1A1 | |
| SCHEMBL3092430 | 0.79 | ALDH1A1 (0.45) | AKR1C3AKR1C2S1PR1S1PR3ALDH1A1 | |
| SCHEMBL3092425 | 0.79 | ALDH1A1 (0.45) | AKR1C3AKR1C2S1PR1S1PR3ALDH1A1 | |
| SCHEMBL3757526 | 0.77 | ALDH1A1 (0.48) | TSHRALDH1A1POLB | |
| SCHEMBL1942123 | 0.77 | TSHR (0.43) | AKR1C3AKR1C2TSHRALDH1A1 | |
| SCHEMBL27638533 | 0.76 | S1PR1 (0.52) | AKR1C3AKR1C2S1PR1S1PR3TSHR | |
| SCHEMBL15582367 | 0.75 | ALDH1A1 (0.43) | TSHRALDH1A1GLAPOLBGAA | |
| SCHEMBL258568 | 0.74 | ALDH1A1 (0.44) | TSHRALDH1A1POLB | |
| SCHEMBL4781603 | 0.74 | KIF11 (0.54) | S1PR1S1PR3TSHRALDH1A1KIF11 |
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-115786943-A | Electrochemical synthesis method of fluorine-containing and trifluoromethyl-containing compound | 齐鲁工业大学 | 2023-03-14 | — | — | CN | disclosed |