Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 7/20 | 0.41 |
| ▸ | ATP4B | P51164 | 7/20 | 0.41 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.41 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.41 |
| ▸ | ATP1A3 | P13637 | 5/20 | 0.41 |
| ▸ | ATP1B2 | P14415 | 5/20 | 0.41 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.41 |
| ▸ | ATP1B3 | P54709 | 5/20 | 0.41 |
| ▸ | FXYD2 | P54710 | 5/20 | 0.41 |
| ▸ | ATP1A4 | Q13733 | 5/20 | 0.41 |
| ▸ | NOS2 | P35228 | 12/20 | 0.37 |
| ▸ | NOS1 | P29475 | 11/20 | 0.37 |
| ▸ | NOS3 | P29474 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688061 | 0.89 | — | — | |
| SCHEMBL9687769 | 0.86 | ATP1A1 (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9688335 | 0.86 | ATP4A (0.40) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9686863 | 0.85 | ATP4A (0.41) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9688025 | 0.84 | ATP4A (0.43) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL11005411 | 0.84 | ATP4A (0.46) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9687860 | 0.84 | ATP4A (0.42) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL10752617 | 0.83 | ATP4A (0.43) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9686836 | 0.83 | ATP4A (0.43) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9686873 | 0.83 | — | — |
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 |