Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL6524377 | 1.00 | EPHX1 (0.42) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL27912766 | 0.98 | — | — | |
| SCHEMBL2185400 | 0.91 | — | — | |
| SCHEMBL2285647 | 0.80 | — | — | |
| SCHEMBL1793351 | 0.71 | EPHX1 (0.46) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL1792344 | 0.71 | EPHX1 (0.46) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL1793038 | 0.71 | EPHX1 (0.46) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL3911273 | 0.70 | EPHX1 (0.50) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL6053248 | 0.69 | TSHR (0.53) | EPHX1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL3347455 | 0.69 | EPHX1 (0.54) | EPHX1TSHRALDH1A1ADH1BADH1C |
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-110041275-B | 4-propylcyclohexylbenzene derivative containing 1,2, 3-triazole five-membered ring and preparation method thereof | 四川师范大学 | 2022-07-01 | — | — | CN | disclosed |