Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 15/20 | 0.54 |
| ▸ | CHUK | O15111 | 12/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6070386 | 0.89 | IKBKB (0.44) | IKBKBCHUKCCNE1CDK2PDE5A | |
| SCHEMBL6070820 | 0.89 | SYK (0.44) | IKBKBCHUKCCNE1CDK2PDE5A | |
| SCHEMBL6069652 | 0.82 | CDK2 (0.62) | IKBKBCHUKCDK2 | |
| SCHEMBL3519995 | 0.77 | IKBKB (0.63) | IKBKBCHUKPDE5A | |
| SCHEMBL3516540 | 0.77 | IKBKB (0.66) | IKBKBCHUK | |
| SCHEMBL6070155 | 0.76 | CAMK2D (0.61) | IKBKBCHUKCDK2 | |
| SCHEMBL3522759 | 0.76 | IKBKB (0.61) | IKBKBCHUKPDE5A | |
| SCHEMBL6070706 | 0.75 | CDK1 (0.51) | CDK2 | |
| SCHEMBL6070419 | 0.75 | AURKA (0.52) | IKBKBCHUKCDK2 | |
| SCHEMBL6069779 | 0.75 | JAK2 (0.57) | CCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7109204-B2 | controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents | MERCK & CO., INC. (US) | 2006-09-19 | — | — | US | disclosed |