Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | BRS3 | P32247 | 2/20 | 0.46 |
| ▸ | ATP4A | P20648 | 6/20 | 0.45 |
| ▸ | ATP4B | P51164 | 6/20 | 0.45 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.45 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.45 |
| ▸ | ATP1A3 | P13637 | 5/20 | 0.45 |
| ▸ | ATP1B2 | P14415 | 5/20 | 0.45 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.45 |
| ▸ | ATP1B3 | P54709 | 5/20 | 0.45 |
| ▸ | FXYD2 | P54710 | 5/20 | 0.45 |
| ▸ | ATP1A4 | Q13733 | 5/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9531763 | 0.94 | CYP2D6 (0.57) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526137 | 0.92 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526917 | 0.91 | CYP2D6 (0.56) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526966 | 0.90 | ATP4A (0.57) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9527564 | 0.90 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10713337 | 0.88 | BRS3 (0.57) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526970 | 0.88 | CYP2D6 (0.68) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9687832 | 0.87 | CYP1A2 (0.53) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9527620 | 0.87 | ATP4A (0.55) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL3911587 | 0.84 | CYP1A2 (0.63) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 |
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-0134400-B1 | FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-4555518-A | ANTIULCER AGENTS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1985-11-26 | — | — | US | disclosed |