Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL45430 | 0.91 | CES2 (0.53) | CES2CES1BCHEALDH1A1GPR84 | |
| SCHEMBL3975406 | 0.87 | CES2 (0.50) | CES2CES1BCHEALDH1A1GPR84 | |
| SCHEMBL11355080 | 0.87 | CES2 (0.50) | CES2CES1BCHEALDH1A1GPR84 | |
| Ammonia Solution, Strong SCHEMBL3047305 | 0.87 | CES2 (0.50) | CES2CES1BCHEALDH1A1GPR84 | |
| Hydrazine SCHEMBL3793747 | 0.83 | CES2 (0.48) | CES2CES1BCHEALDH1A1GPR84 | |
| Butadiene SCHEMBL9775438 | 0.82 | CES2 (0.42) | CES2CES1ALDH1A1 | |
| SCHEMBL489680 | 0.79 | CES2 (0.40) | CES2CES1DAO | |
| SCHEMBL5716618 | 0.77 | CTSL (0.44) | CES2CES1BCHEALDH1A1GPR84 | |
| SCHEMBL7173696 | 0.77 | CES2 (0.43) | CES2CES1BCHEALDH1A1GPR84 | |
| SCHEMBL146632 | 0.73 | RIPK1 (0.36) | CES2CES1GPR84 |
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-105061682-A | Preparation method and application of hydrogen bond crosslinked polyolefin | UNIV BEIJING CHEMICAL | 2015-11-18 | — | — | CN | disclosed |