Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | ATP4A | P20648 | 5/20 | 0.44 |
| ▸ | ATP4B | P51164 | 5/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216941 | 0.77 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6352082 | 0.74 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10644935 | 0.73 | CYP1A2 (0.61) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2193469 | 0.73 | ATP4A (0.76) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL475213 | 0.73 | L3MBTL1 (0.57) | SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL5041735 | 0.72 | CYP1A2 (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9052427 | 0.71 | CYP1A2 (0.59) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6351785 | 0.71 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6356148 | 0.70 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7500392 | 0.70 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695303-B1 | PYRIDINIUM SALTS AND THEIR USE FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEM FAB (DE) | 2001-11-28 | — | — | EP | disclosed |
| EP-0695303-A1 | NEW PYRIDINIUM SALTS AND THEIR USE FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024130-A1 | NEW PYRIDINIUM SALTS AND THEIR USE FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-10-27 | — | — | WO | disclosed |