Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 17/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.73 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Ro-281675 SCHEMBL2645615 | 1.00 | GCK (1.00) | GCKKCNH2FFAR2 | |
| Ro-281675 SCHEMBL2646000 | 1.00 | GCK (1.00) | GCKKCNH2FFAR2 | |
| SCHEMBL2645004 | 0.99 | GCK (0.98) | GCKKCNH2FFAR2 | |
| SCHEMBL2645066 | 0.99 | GCK (0.98) | GCKKCNH2FFAR2 | |
| SCHEMBL2650832 | 0.91 | GCK (1.00) | GCKKCNH2FFAR2 | |
| SCHEMBL2651749 | 0.91 | GCK (1.00) | GCKKCNH2FFAR2 | |
| SCHEMBL2646496 | 0.91 | GCK (0.83) | GCKKCNH2FFAR2 | |
| SCHEMBL2645678 | 0.90 | GCK (0.81) | GCKKCNH2FFAR2 | |
| SCHEMBL2647733 | 0.89 | GCK (0.82) | GCKKCNH2FFAR2 | |
| SCHEMBL2647025 | 0.88 | GCK (0.79) | GCKKCNH2FFAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1344834-A2 | Methods for the toxicity prediction of a compound | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |