Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 11/20 | 0.80 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.80 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.80 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.62 |
| ▸ | CDC37 | Q16543 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150302 | 0.91 | ERBB2 (0.81) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5039130 | 0.91 | ERBB2 (0.81) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL1963694 | 0.91 | ERBB2 (0.81) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5039362 | 0.91 | ERBB2 (0.80) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5035349 | 0.91 | ERBB2 (0.80) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5045792 | 0.89 | ERBB2 (0.78) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5131339 | 0.89 | ERBB2 (0.82) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL870975 | 0.89 | HSP90AB1 (1.00) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5035470 | 0.89 | ERBB2 (0.77) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 | |
| SCHEMBL5035204 | 0.89 | ERBB2 (0.77) | ERBB2HSP90AA1HSP90AB1HSP90B1CDC37 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962863-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | Conforma Therapeutics Corporation (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075572-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |