Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.64 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19043522 | 1.00 | CES1 (0.64) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL28006923 | 1.00 | CES1 (0.64) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL128963 | 1.00 | CES1 (0.64) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL28022193 | 1.00 | CES1 (0.64) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL128551 | 0.98 | CES1 (0.61) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL127742 | 0.90 | CES1 (0.52) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL28349199 | 0.88 | CES1 (0.53) | CES1PLA2G2CCES2FAAH | |
| Fluoride SCHEMBL27418704 | 0.88 | CES1 (0.50) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL15823328 | 0.87 | CES1 (0.46) | CES1PLA2G2CCES2HSD17B10TSHR | |
| SCHEMBL28346432 | 0.84 | CES1 (0.49) | CES1PLA2G2CMAPTALDH1A1FAAH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104918909-A | Using mixtures of E/Z isomers to obtain quantitatively specific products by combined asymmetric hydrogenations | DSM IP ASSETS BV | 2015-09-16 | — | — | CN | disclosed |
| CN-104884420-A | USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINING ASYMMETRIC HYDROGENATION AND ISOMERIZATION | DSM IP ASSETS BV | 2015-09-02 | — | — | CN | disclosed |
| CN-104884446-A | Asymmetric Hydrogenation of Ketals and Acetals | DSM IP ASSETS BV | 2015-09-02 | — | — | CN | disclosed |