Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 19/20 | 0.60 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2628064 | 1.00 | GABRA5 (0.60) | GABRA5GABRA1GABRG2GABRB3KCNH2 | |
| SCHEMBL286291 | 0.92 | GABRA5 (0.68) | GABRA5GABRA1 | |
| SCHEMBL286044 | 0.89 | GABRA5 (0.59) | GABRA5GABRG2GABRB3KCNH2 | |
| SCHEMBL286658 | 0.89 | GABRA5 (0.59) | GABRA5GABRG2GABRB3KCNH2 | |
| SCHEMBL286151 | 0.89 | GABRA5 (0.59) | GABRA5GABRG2GABRB3KCNH2 | |
| SCHEMBL285879 | 0.86 | GABRA5 (0.60) | GABRA5 | |
| SCHEMBL2099131 | 0.86 | GABRA5 (0.60) | GABRA5 | |
| SCHEMBL2098505 | 0.86 | GABRA5 (0.60) | GABRA5 | |
| SCHEMBL2098576 | 0.86 | GABRA5 (0.59) | GABRA5GABRA1 | |
| SCHEMBL297776 | 0.86 | GABRA5 (0.59) | GABRA5GABRA1 |
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-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | claimed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |