Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ADCY10 | Q96PN6 | 6/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PAK4 | O96013 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | GRK5 | P34947 | 1/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502717 | 0.87 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL17476767 | 0.87 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL20416534 | 0.81 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL29907836 | 0.81 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL5412742 | 0.81 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1DYRK1AADORA2AADORA1 | |
| SCHEMBL3943279 | 0.77 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL15756952 | 0.77 | NUDT1 (0.63) | ROCK1NUDT1ADORA2AADORA1 | |
| SCHEMBL4281168 | 0.77 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL3950560 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL5749587 | 0.75 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 |
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-2049497-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2006123165-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-11-23 | — | — | WO | disclosed |