Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRE | P78334 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4307636 | 0.90 | SLC6A4 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL4307637 | 0.90 | SLC6A4 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL27479621 | 0.87 | SMN1; SMN2 (0.30) | SMN1; SMN2 | |
| SCHEMBL28318717 | 0.85 | TSHR (0.33) | TSHREPHX2 | |
| SCHEMBL27687060 | 0.83 | TSHR (0.36) | SLC6A2EPHX1TSHREPHX2SMN1; SMN2 | |
| SCHEMBL27825152 | 0.81 | TSHR (0.38) | SLC6A2EPHX1TSHREPHX2 | |
| SCHEMBL1305814 | 0.79 | GABRA5 (0.40) | SLC6A2SLC6A4SLC6A3EPHX1GABRP | |
| SCHEMBL27707197 | 0.79 | PTGIR (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL27804992 | 0.79 | THRB (0.33) | — | |
| SCHEMBL27938688 | 0.78 | GABRP (0.34) | SLC6A2SLC6A4SLC6A3EPHX1GABRP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105829293-A | Novel piperidine carboxamide compound, preparation method, and usage thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-08-03 | — | — | CN | claimed |
| CN-105829304-B | N, N ' substituted piperidine aminated compounds, preparation method and the usage | 中国人民解放军军事医学科学院毒物药物研究所 | 2019-09-20 | — | — | CN | disclosed |
| CN-105829293-A | Novel piperidine carboxamide compound, preparation method, and usage thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-08-03 | — | — | CN | disclosed |