Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8089224 | 0.94 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7850659 | 0.91 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7848644 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL8089221 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL7839642 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL7849333 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL7850736 | 0.85 | RAB9A (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL7849930 | 0.85 | RAB9A (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| Hydrochloric Acid SCHEMBL7840322 | 0.84 | RAB9A (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7852559 | 0.84 | HRH3 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6043242-A | TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0946559-A2 | IMIDAZOPYRIDAZINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028299-A2 | IMIDAZOPYRIDAZINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-07-02 | — | — | WO | disclosed |