Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 19/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425489 | 0.90 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL14135118 | 0.85 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL12811526 | 0.83 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1426159 | 0.79 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425909 | 0.78 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425956 | 0.77 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL12811920 | 0.77 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425538 | 0.77 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425625 | 0.77 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1426043 | 0.77 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118111-B1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | PFIZER (US) | 2011-03-23 | — | — | EP | disclosed |