Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 18/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL1426043 | 0.88 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1426111 | 0.88 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425657 | 0.88 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1426014 | 0.87 | SUV39H2 (0.40) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425462 | 0.86 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425625 | 0.86 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL12811920 | 0.86 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425956 | 0.86 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425489 | 0.86 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL1425538 | 0.86 | HSP90AA1 (0.55) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118111-A1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | Pfizer Inc. (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008096218-A1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | PFIZER INC. (US) | 2008-08-14 | — | — | WO | disclosed |