Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | ATP4A | P20648 | 4/20 | 0.42 |
| ▸ | ATP4B | P51164 | 4/20 | 0.42 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.42 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.42 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.42 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.42 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.42 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.42 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9528053 | 0.87 | NOS2 (0.64) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL8980095 | 0.85 | NOS2 (0.51) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL9688770 | 0.82 | CYP1A2 (0.54) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL9687856 | 0.81 | ATP4A (0.42) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL9687840 | 0.81 | NOS2 (0.61) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL9527785 | 0.78 | NOS2 (0.68) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL11000381 | 0.77 | NOS2 (0.64) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL9687925 | 0.77 | CYP1A2 (0.51) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL6881681 | 0.77 | ATP4A (0.56) | NOS2NOS3NOS1CYP1A2CYP2D6 | |
| SCHEMBL9527349 | 0.76 | NOS2 (0.69) | NOS2NOS3NOS1CYP1A2CYP2D6 |
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 4 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 |
| EP-0201575-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. | BYK GULDEN LOMBERG CHEM FAB (DE) | 1986-11-20 | — | — | EP | disclosed |
| WO-1986002646-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) | 1986-05-09 | — | — | WO | disclosed |