Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688807 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9687921 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9687792 | 0.81 | NOS2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9687805 | 0.79 | BRS3 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9686873 | 0.78 | — | — | |
| SCHEMBL9686676 | 0.77 | CYP3A4 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9526619 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10714568 | 0.77 | HPGD (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9687791 | 0.77 | ATP4A (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6476475 | 0.75 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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 |