Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.50 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| SCHEMBL5362087 | 0.92 | AR (0.60) | ARCCNCCDK8CHEK1CYP11B2 | |
| SCHEMBL14347697 | 0.85 | AR (0.53) | ARCCNCCDK8CHEK1 | |
| SCHEMBL5359277 | 0.81 | AR (0.61) | ARCCNCCDK8CHEK1CYP11B2 | |
| SCHEMBL5361524 | 0.77 | AR (0.54) | ARCCNCCDK8CHEK1CYP11B2 | |
| SCHEMBL5373726 | 0.76 | AR (0.61) | ARCCNCCDK8CHEK1 | |
| SCHEMBL5362232 | 0.76 | AR (0.61) | ARCCNCCDK8CYP11B2DHODH | |
| SCHEMBL5359879 | 0.73 | AR (0.52) | AR | |
| SCHEMBL6469428 | 0.71 | AR (0.58) | ARCCNCCDK8CYP11B2SLC11A2 | |
| SCHEMBL6466733 | 0.71 | AR (0.60) | ARCYP11B2SLC11A2 | |
| SCHEMBL14348310 | 0.70 | AR (0.53) | ARCCNCCDK8CHEK1 |
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-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |