Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16104762 | 0.88 | CYP1A2 (0.39) | CYP1A2 | |
| SCHEMBL9759349 | 0.85 | TLR4 (0.33) | — | |
| SCHEMBL9759355 | 0.85 | TLR4 (0.33) | — | |
| SCHEMBL9759362 | 0.85 | TLR4 (0.33) | — | |
| SCHEMBL9758261 | 0.78 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL9758268 | 0.78 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL9758257 | 0.78 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL9758970 | 0.77 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL9758965 | 0.77 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL9758976 | 0.77 | CYP1A2 (0.33) | CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6056895-A | Fluorocyclohexane derivatives, and liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-05-02 | — | — | US | disclosed |