Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425365 | 0.89 | HTR4 (0.35) | HTR4HSP90AB1HSP90AA1DPP4CYP3A4 | |
| SCHEMBL12811898 | 0.79 | NPBWR1 (0.36) | HSP90AA1DPP4CYP3A4 | |
| SCHEMBL1425638 | 0.79 | HSP90AB1 (0.38) | HSP90AB1HSP90AA1DPP4CYP3A4SUV39H2 | |
| SCHEMBL12811669 | 0.79 | HSP90AA1 (0.33) | HSP90AB1HSP90AA1 | |
| SCHEMBL12811643 | 0.76 | HSP90AA1 (0.43) | HSP90AB1HSP90AA1CYP3A4 | |
| SCHEMBL12811668 | 0.76 | HSP90AA1 (0.39) | HSP90AB1HSP90AA1DPP4 | |
| SCHEMBL12811523 | 0.74 | HSP90AB1 (0.38) | HSP90AB1HSP90AA1DPP4CYP3A4 | |
| SCHEMBL14135118 | 0.74 | HSP90AA1 (0.45) | HSP90AB1HSP90AA1CYP3A4 | |
| SCHEMBL12811526 | 0.74 | HSP90AA1 (0.47) | HSP90AB1HSP90AA1CYP3A4 | |
| SCHEMBL1426051 | 0.74 | SUV39H2 (0.35) | HSP90AB1HSP90AA1DPP4SUV39H2 |
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 |