Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | DCPS | Q96C86 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17336011 | 0.90 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1ADORA2AADORA1RECQL | |
| SCHEMBL17349447 | 0.87 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1ADORA2AADORA1RECQL | |
| SCHEMBL4735575 | 0.80 | GAA (0.39) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL4848542 | 0.79 | LRRK2 (0.39) | — | |
| SCHEMBL14207911 | 0.76 | ADORA2A (0.34) | HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL14209035 | 0.76 | HSP90AB1 (0.49) | HSP90AA1HSP90AB1ADORA2AADORA1DHFR | |
| SCHEMBL17336017 | 0.75 | HSP90AB1 (0.49) | HSP90AA1HSP90AB1ADORA2AADORA1RECQL | |
| SCHEMBL4735379 | 0.74 | HSP90AB1 (0.51) | HSP90AA1HSP90AB1ADORA2AADORA1DHFR | |
| SCHEMBL4732878 | 0.73 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL1425982 | 0.71 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1ADORA2AAMY1AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008059368-A2 | FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | PFIZER PRODUCTS INC. (US) | 2008-05-22 | — | — | WO | disclosed |