Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425982 | 0.87 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1DPP4ADORA1ADORA2A | |
| SCHEMBL12811671 | 0.86 | NQO2 (0.32) | NQO2ADORA1DHFRGAAHRH2 | |
| SCHEMBL12811495 | 0.76 | HTR4 (0.35) | HSP90AA1HSP90AB1DPP4 | |
| SCHEMBL1425301 | 0.74 | HSP90AB1 (0.46) | HSP90AA1HSP90AB1DPP4GAANPC1 | |
| SCHEMBL1425439 | 0.73 | HSP90AB1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL12811643 | 0.72 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1 | |
| SCHEMBL17349442 | 0.71 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1DHFRNPC1HRH2 | |
| SCHEMBL14135118 | 0.70 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 | |
| SCHEMBL12811898 | 0.69 | NPBWR1 (0.36) | HSP90AA1DPP4ADORA1ADORA2A | |
| SCHEMBL1425642 | 0.69 | HSP90AB1 (0.39) | HSP90AA1HSP90AB1DPP4HRH2HRH3 |
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-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 |
| 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 |