Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28102660 | 0.82 | CES2 (0.48) | CES2CES1EPHX2MGLLSRD5A2 | |
| SCHEMBL7682737 | 0.78 | SMN1; SMN2 (0.50) | CES2CES1EPHX2KIF11 | |
| SCHEMBL9835938 | 0.78 | CES2 (0.49) | CES2MGLLSRD5A2 | |
| SCHEMBL9835405 | 0.77 | CES2 (0.41) | CES2CES1SRD5A2GSK3B | |
| SCHEMBL20560331 | 0.75 | ALDH1A1 (0.41) | CES2CES1 | |
| SCHEMBL7242450 | 0.74 | HDAC8 (0.51) | CES2CES1EPHX2GSK3BKIF11 | |
| SCHEMBL9836470 | 0.73 | EPHX2 (0.41) | CES2CES1EPHX2SRD5A2GSK3B | |
| SCHEMBL4298574 | 0.73 | MGLL (0.50) | CES2CES1EPHX2MGLLKIF11 | |
| SCHEMBL4873036 | 0.71 | SMN1; SMN2 (0.46) | CES2CES1EPHX2MGLLSRD5A2 | |
| SCHEMBL9836319 | 0.71 | EGFR (0.40) | KIF11 |
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-108698982-A | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日产化学工业株式会社 | 2018-10-23 | — | — | CN | disclosed |