Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | ATP4A | P20648 | 8/20 | 0.41 |
| ▸ | ATP4B | P51164 | 8/20 | 0.41 |
| ▸ | ATP1A1 | P05023 | 7/20 | 0.41 |
| ▸ | ATP1B1 | P05026 | 7/20 | 0.41 |
| ▸ | ATP1A3 | P13637 | 7/20 | 0.41 |
| ▸ | ATP1B2 | P14415 | 7/20 | 0.41 |
| ▸ | ATP1A2 | P50993 | 7/20 | 0.41 |
| ▸ | ATP1B3 | P54709 | 7/20 | 0.41 |
| ▸ | FXYD2 | P54710 | 7/20 | 0.41 |
| ▸ | ATP1A4 | Q13733 | 7/20 | 0.41 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688770 | 0.94 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9687832 | 0.89 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9688514 | 0.88 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9527499 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9526966 | 0.83 | ATP4A (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9687882 | 0.83 | ATP4A (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9687399 | 0.82 | ATP4A (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9687322 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9686774 | 0.80 | CYP3A4 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9526842 | 0.79 | RAB9A (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-0201575-B1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4686230-A | Picoline derivative useful as gastric acid secretion inhibitors | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1987-08-11 | — | — | US | disclosed |