Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 10/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28168509 | 0.89 | IAPP (0.49) | CES2TACR1DAOIDO1SLC6A4 | |
| SCHEMBL27490323 | 0.89 | RXRA (0.45) | CES2TACR1DAOSLC6A4RXRA | |
| SCHEMBL1015795 | 0.86 | LMNA (0.54) | CES2TACR1LMNARXRARXRB | |
| SCHEMBL3400672 | 0.84 | IDO1 (0.46) | CES2TACR1DAOIDO1SLC6A4 | |
| SCHEMBL13059753 | 0.84 | ALDH1A1 (0.47) | CES2TACR1DAOIDO1SLC6A4 | |
| SCHEMBL8491974 | 0.81 | TAAR1 (0.61) | CES2DAOIDO1THRATHRB | |
| SCHEMBL22028462 | 0.80 | TACR1 (0.50) | CES2TACR1SLC6A4 | |
| SCHEMBL4974901 | 0.80 | TACR1 (0.43) | CES2TACR1IDO1LMNAMTOR | |
| SCHEMBL4660533 | 0.79 | RXRA (0.41) | TACR1IDO1SLC6A4RXRARXRB | |
| SCHEMBL7332151 | 0.79 | FFAR1 (0.57) | CES2 |
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-112048538-B | Method for preparing (S) - [3, 5-bis (trifluoromethyl) phenyl ] ethanol by using Verticillium terrestris | 浙江工业大学 | 2021-12-21 | — | — | CN | disclosed |
| CN-112048538-A | Method for preparing (S) - [3, 5-bis (trifluoromethyl) phenyl ] ethanol by using Verticillium terrestris | 浙江工业大学 | 2020-12-08 | — | — | CN | disclosed |