Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 12/20 | 0.73 |
| ▸ | GSK3B | P49841 | 14/20 | 0.67 |
| ▸ | CCNB2 | O95067 | 11/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 11/20 | 0.67 |
| ▸ | CCNB3 | Q8WWL7 | 11/20 | 0.67 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.43 |
| ▸ | GSK3A | P49840 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5802549 | 0.90 | CDK1 (0.71) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5801919 | 0.88 | CDK1 (0.69) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5802581 | 0.88 | CDK1 (0.69) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5819849 | 0.86 | CDK1 (0.66) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5820378 | 0.85 | CDK1 (0.64) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5819148 | 0.85 | CDK1 (0.66) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5688713 | 0.84 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5801923 | 0.84 | CDK1 (0.79) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL6012263 | 0.81 | GSK3B (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL5688439 | 0.79 | GSK3B (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2006089874-A1 | BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONES | GPC BIOTECH AG (DE) | 2006-08-31 | — | — | WO | disclosed |