Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28810914 | 0.91 | MMP2 (0.33) | DRD2DRD4DRD3MMP2MMP3 | |
| SCHEMBL28811342 | 0.88 | — | — | |
| SCHEMBL28811901 | 0.87 | GABRP (0.34) | DRD2DRD4DRD3MMP2MMP3 | |
| SCHEMBL28811381 | 0.86 | DRD2 (0.33) | DRD2DRD4DRD3MMP2MMP3 | |
| SCHEMBL28811338 | 0.82 | MMP2 (0.34) | MMP2MMP3PPARGPPARA | |
| Hydrochloric Acid SCHEMBL28810953 | 0.82 | ALDH2 (0.31) | — | |
| SCHEMBL19989613 | 0.79 | DRD2 (0.40) | DRD2DRD4DRD3PPARGPPARA | |
| SCHEMBL28810925 | 0.78 | PPARG (0.43) | DRD2DRD4DRD3PPARGPPARA | |
| SCHEMBL28810877 | 0.76 | MMP2 (0.33) | MMP2MMP3 | |
| SCHEMBL19989694 | 0.76 | — | — |
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-110088087-B | Tetrahydropyridine derivatives and their use as antibacterial agents | 东亚ST株式会社 | 2022-08-09 | — | — | CN | disclosed |