Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 10/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 9/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22639196 | 0.86 | CYP2B6 (0.55) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22619816 | 0.79 | CYP2B6 (0.79) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL31039826 | 0.79 | CYP2B6 (0.79) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL30839426 | 0.79 | CYP2B6 (0.79) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22619802 | 0.79 | CYP2B6 (0.79) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22619801 | 0.79 | CYP2B6 (0.79) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL23212733 | 0.78 | CYP2B6 (0.48) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL29871073 | 0.78 | CYP2B6 (0.48) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22619628 | 0.78 | CYP2B6 (0.48) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL22619736 | 0.77 | CYP2B6 (0.47) | CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3774782-A2 | ATF6 INHIBITORS AND USES THEREOF | Black Belt TX Ltd (GB) | 2021-02-17 | — | — | EP | disclosed |