Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 4/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3640205 | 0.95 | GABRA5 (0.55) | GABRA5HDAC4MEN1NPC1RAB9A | |
| SCHEMBL3641182 | 0.93 | GABRA5 (0.53) | GABRA5HDAC4HDAC6SMYD3PTGS2 | |
| SCHEMBL3644018 | 0.87 | GABRA5 (0.55) | GABRA5HDAC4HDAC6ESR1ESR2 | |
| SCHEMBL4973220 | 0.86 | MAPK14 (0.52) | GABRA5MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3644925 | 0.85 | GABRA5 (0.48) | GABRA5HDAC4NPC1RAB9AHDAC6 | |
| SCHEMBL3644437 | 0.85 | GABRA5 (0.46) | GABRA5HDAC4HDAC6ESR1ESR2 | |
| SCHEMBL3640153 | 0.83 | GABRA5 (0.50) | GABRA5NPC1RAB9ASMN1; SMN2ESR1 | |
| SCHEMBL4971009 | 0.83 | GABRA5 (0.51) | GABRA5HDAC4MEN1NPC1RAB9A | |
| SCHEMBL4971711 | 0.83 | GABRA5 (0.51) | GABRA5HDAC4MEN1NPC1RAB9A | |
| SCHEMBL4975244 | 0.81 | GABRA5 (0.53) | GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2170873-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | claimed |
| WO-2009000662-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | claimed |
| EP-2170873-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009000662-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | disclosed |