Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.81 |
| ▸ | GSK3B | P49841 | 6/20 | 0.72 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.71 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.71 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.71 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.71 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.71 |
| ▸ | MDH2 | P40926 | 12/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5688353 | 0.90 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5235565 | 0.86 | CDK1 (0.79) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5233378 | 0.82 | CDK1 (0.76) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5237969 | 0.80 | CDK1 (0.70) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL14608901 | 0.79 | CDK1 (0.52) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5688237 | 0.77 | GSK3B (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5966758 | 0.70 | CCKBR (0.48) | MAPTSMN1; SMN2 | |
| SCHEMBL5688264 | 0.69 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL30319855 | 0.69 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL23320864 | 0.67 | MAPT (0.44) | ALDH1A1MAPT |
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 |