Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 11/20 | 0.44 |
| ▸ | ATP4B | P51164 | 11/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | FASN | P49327 | 1/20 | 0.43 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.43 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686676 | 0.93 | CYP3A4 (0.46) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9686799 | 0.86 | CYP2C9 (0.45) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9687921 | 0.84 | CYP1A2 (0.45) | CYP2C9CYP3A4HPGDALDH1A1LMNA | |
| SCHEMBL9687828 | 0.84 | ATP4A (0.47) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9688506 | 0.84 | ATP4A (0.47) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9688793 | 0.84 | CYP3A4 (0.44) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9687805 | 0.83 | BRS3 (0.57) | ATP4AATP4BCYP2C9CYP3A4HPGD | |
| SCHEMBL9687792 | 0.82 | NOS2 (0.55) | ATP4AATP4BCYP2C9CYP3A4BRS3 | |
| SCHEMBL9793565 | 0.81 | BRS3 (0.53) | CYP2C9CYP3A4LMNABRS3CYP1A2 | |
| SCHEMBL9688807 | 0.81 | CYP1A2 (0.45) | CYP2C9CYP3A4HPGDKDM4EALDH1A1 |
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-0093320-B1 | PROCESS FOR THE EXTRACTION OF ONIUM SALTS FROM PROCESS AND WASTE WATERS | BAYER AG (DE) | 1987-06-16 | — | — | EP | disclosed |
| EP-0093320-A2 | Process for the extraction of onium salts from process and waste waters | BAYER AG (DE) | 1983-11-09 | — | — | EP | disclosed |