Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8357188 | 0.85 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL27282407 | 0.83 | CES2 (0.44) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL1561411 | 0.80 | CES2 (0.50) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL28480137 | 0.78 | MDM2 (0.41) | SLC6A4MDM2 | |
| SCHEMBL3833105 | 0.77 | CES2 (0.47) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL25947213 | 0.76 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL18948896 | 0.76 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL28193460 | 0.76 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL3371037 | 0.76 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL27878985 | 0.75 | PSEN1 (0.41) | CES2CES1ALDH1A1CA3CA6 |
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-116947645-A | Low-carbon environment-friendly method for synthesizing primary amine by taking halohydrocarbon as raw material | 徐昌平 | 2023-10-27 | — | — | CN | disclosed |
| CN-108698982-A | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日产化学工业株式会社 | 2018-10-23 | — | — | CN | disclosed |