Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.42 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.36 |
| ▸ | ATP4B | P51164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31097366 | 0.98 | AGXT (0.49) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL26281215 | 0.84 | AGXT (0.43) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| Hydrochloric Acid SCHEMBL3180897 | 0.83 | AGXT (0.42) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL94923 | 0.77 | AGXT (0.53) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| Hydrochloric Acid SCHEMBL28303939 | 0.76 | AGXT (0.52) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL29039529 | 0.76 | AGXT (0.52) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL29736023 | 0.76 | AGXT (0.52) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL7845798 | 0.76 | AGXT (0.52) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL22586637 | 0.75 | AGXT (0.40) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL94922 | 0.74 | AGXT (0.50) | AGXTHSP90AA1HSP90AB1TRAP1HSP90B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101906106-A | New heterogeneous ring compound as the HSP90-inhibitor | CONFORMA THERAPEUTICS CORP | 2010-12-08 | — | — | CN | disclosed |
| CN-1882589-B | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP | 2010-06-09 | — | — | CN | disclosed |
| CN-1882589-A | Novel heterocyclic compounds as HSP 90-inhibitors | CONFORMA THERAPEUTICS CORP (US) | 2006-12-20 | — | — | CN | disclosed |
| US-6303787-B1 | STARTING FROM 4-NITRO-2,3,5-TRIMETHYLPYRIDINE-N-OXIDE AND5-METHOXY-2-MERCAPTO BENZIMIDAZOLE | NATCO PHARMA LIMITED (IN) | 2001-10-16 | — | — | US | disclosed |
| CN-85103357-A | The method for making of tricyclic imidazole derivatives and acid salt thereof | — | 1986-11-12 | — | — | CN | disclosed |