Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24877434 | 0.77 | CES2 (0.42) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL3186857 | 0.76 | CES2 (0.43) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28830478 | 0.76 | CES2 (0.36) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28830480 | 0.76 | CES2 (0.36) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL18683038 | 0.75 | DGAT1 (0.32) | SLC6A4CYP2D6 | |
| SCHEMBL28982438 | 0.74 | CES2 (0.38) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL3385586 | 0.74 | IDO1 (0.41) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL20445808 | 0.74 | IDO1 (0.41) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL18683363 | 0.74 | EEF2K (0.46) | CES2CES1CNR2GAAMEN1 | |
| SCHEMBL23489941 | 0.71 | CES2 (0.46) | CES2CES1IDO1TDO2CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3353163-B1 | 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2020-02-05 | — | — | EP | disclosed |
| WO-2017050978-A1 | 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-30 | — | — | WO | disclosed |