Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | GRM8 | O00222 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL5445281 | 0.74 | CES2 (1.00) | CES2CES1GSK3BSRD5A2PTPN1 | |
| SCHEMBL29009997 | 0.74 | CES2 (0.49) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL28181392 | 0.74 | CES2 (0.49) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL27621486 | 0.73 | CES2 (0.52) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL4634324 | 0.73 | CES2 (0.67) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL504284 | 0.73 | CES2 (0.67) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL504285 | 0.73 | CES2 (0.67) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL28838734 | 0.73 | CES2 (0.52) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL7570153 | 0.73 | CES2 (0.55) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL29400701 | 0.73 | CES2 (0.55) | CES2CES1GSK3BACP3EPHX2 |
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-107383028-B | The miscellaneous thiocarbamoyl imidazole compound of 1,2,3,4- tetrahydro-beta-carboline-N- and preparation and application | 浙江大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-107383028-A | The miscellaneous thiocarbamoyl imidazole compounds of 1,2,3,4 tetrahydro-beta-carboline N and preparation and application | 浙江大学 | 2017-11-24 | — | — | CN | disclosed |