Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2628061 | 0.95 | GABRA1 (0.51) | GABRA1GABRA5RAB9AKMT2AAPAF1 | |
| SCHEMBL286280 | 0.89 | GABRA1 (0.49) | GABRA1GABRA5ITGA5 | |
| SCHEMBL295695 | 0.87 | GABRA1 (0.48) | GABRA1GABRA5ITGA5 | |
| SCHEMBL300344 | 0.87 | GABRA1 (0.48) | GABRA1GABRA5ITGA5 | |
| SCHEMBL286058 | 0.87 | GABRA1 (0.48) | GABRA1GABRA5ITGA5 | |
| SCHEMBL286161 | 0.81 | POLB (0.40) | GABRA1GABRA5TP53 | |
| SCHEMBL286340 | 0.79 | GABRA5 (0.44) | GABRA1GABRA5 | |
| SCHEMBL286160 | 0.79 | GABRA5 (0.42) | GABRA1GABRA5 | |
| SCHEMBL286394 | 0.78 | L3MBTL1 (0.35) | GABRA1GABRA5 | |
| SCHEMBL286460 | 0.78 | ALPL (0.43) | GABRA5RAB9AKMT2ANPC1MEN1 |
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 4 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 |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | 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 |