Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 3/20 | 0.38 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.38 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.38 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.38 |
| ▸ | ATP4A | P20648 | 3/20 | 0.38 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.38 |
| ▸ | ATP4B | P51164 | 3/20 | 0.38 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.38 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.38 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 10/20 | 0.34 |
| ▸ | NOS1 | P29475 | 9/20 | 0.34 |
| ▸ | NOS3 | P29474 | 6/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9687927 | 0.86 | ATP4A (0.41) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9686687 | 0.86 | ATP4A (0.40) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9688799 | 0.82 | NOS2 (0.50) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9686941 | 0.81 | ATP4A (0.48) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9687848 | 0.79 | ATP4A (0.43) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL10617543 | 0.77 | NOS2 (0.42) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9688061 | 0.76 | — | — | |
| SCHEMBL9379675 | 0.74 | ATP4A (0.54) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9687860 | 0.74 | ATP4A (0.42) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A | |
| SCHEMBL9526828 | 0.74 | ATP4A (0.50) | ATP1A1ATP1B1ATP1A3ATP1B2ATP4A |
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 |