Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.52 |
| ▸ | GSK3B | P49841 | 5/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | MDH2 | P40926 | 14/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5237362 | 0.79 | CDK1 (0.81) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5688353 | 0.69 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL19353002 | 0.65 | CA1 (0.69) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5235565 | 0.64 | CDK1 (0.79) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL7091522 | 0.63 | ALDH1A1 (0.67) | — | |
| SCHEMBL12856385 | 0.62 | CCNB2 (0.75) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5233378 | 0.61 | CDK1 (0.76) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL24714971 | 0.61 | ALDH1A1 (0.60) | — | |
| SCHEMBL5966758 | 0.60 | CCKBR (0.48) | — | |
| SCHEMBL5237969 | 0.59 | CDK1 (0.70) | CDK1GSK3BCCNB2CCNB1CCNB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1757607-A1 | N5-substituted benzo¬2,3|azepino¬4,5-b|indol-6-ones for treating tropical diseases | Molisa GmbH (DE) | 2007-02-28 | — | — | EP | disclosed |