Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28412801 | 0.84 | CES2 (0.36) | CES2CES1HRH4CA3CA6 | |
| SCHEMBL21207989 | 0.79 | CES2 (0.41) | CES2CES1HRH4KEAP1CA3 | |
| SCHEMBL11042341 | 0.77 | CES2 (0.56) | CES2CES1HRH4KEAP1CA3 | |
| SCHEMBL28409813 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL28412823 | 0.76 | CES2 (0.41) | CES2 | |
| SCHEMBL10290613 | 0.75 | CA3 (0.43) | CES2CES1HRH4CA3CA6 | |
| SCHEMBL15172864 | 0.75 | CES2 (0.39) | CES2CES1HRH4KEAP1CA3 | |
| SCHEMBL15974805 | 0.73 | F2R (0.38) | CES2CES1HRH4KEAP1CA3 | |
| SCHEMBL29467102 | 0.73 | KEAP1 (0.57) | CES2CES1HRH4KEAP1CA3 | |
| SCHEMBL28966735 | 0.73 | CES2 (0.38) | CES2CES1HRH4KEAP1CA3 |
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-111171068-B | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2021-12-14 | — | — | CN | disclosed |
| CN-111171068-A | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2020-05-19 | — | — | CN | disclosed |