Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082681 | 0.91 | CYP1A2 (0.34) | CYP1A2CYP2C9 | |
| SCHEMBL8081188 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP2C9 | |
| SCHEMBL8089394 | 0.87 | CYP1A2 (0.32) | CYP1A2CYP2C9 | |
| SCHEMBL8092765 | 0.87 | CYP1A2 (0.35) | CYP1A2CYP2C9TYMS | |
| Hydrochloric Acid SCHEMBL8088311 | 0.86 | CYP1A2 (0.31) | CYP1A2CYP2C9 | |
| SCHEMBL8081179 | 0.85 | MAPT (0.37) | CYP1A2CYP2C9 | |
| SCHEMBL8089469 | 0.85 | ALDH1A1 (0.39) | CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL8081072 | 0.83 | TYMS (0.32) | TYMS | |
| SCHEMBL8089392 | 0.81 | CYP1A2 (0.31) | CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL8092772 | 0.80 | NPC1 (0.42) | CYP1A2CYP2C9 |
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 |