Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 13/20 | 0.62 |
| ▸ | CDK4 | P11802 | 11/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 3/20 | 0.35 |
| ▸ | BCR | P11274 | 2/20 | 0.35 |
| ▸ | PRKCA | P17252 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6599378 | 0.84 | CDK4 (0.45) | CDK2CDK4PLK1GSK3BAURKB | |
| SCHEMBL6605374 | 0.83 | CDK2 (0.90) | CDK2CDK4ALDH1A1 | |
| SCHEMBL6668845 | 0.80 | CDK4 (0.74) | CDK2CDK4ALDH1A1IKBKBGSK3B | |
| SCHEMBL4613610 | 0.77 | CDK2 (0.58) | CDK2CDK4ALDH1A1PLK1IKBKB | |
| SCHEMBL4615866 | 0.77 | CDK2 (1.00) | CDK2CDK4ALDH1A1 | |
| SCHEMBL6279175 | 0.77 | CDK2 (0.61) | CDK2CDK4ALDH1A1NPC1MAPT | |
| SCHEMBL6601086 | 0.74 | CDK2 (0.58) | CDK2CDK4PLK1CCNT1CDK1 | |
| SCHEMBL6600190 | 0.74 | CDK4 (0.58) | CDK2CDK4PLK1GSK3BAURKB | |
| SCHEMBL6600211 | 0.74 | CDK4 (0.58) | CDK2CDK4PLK1GSK3BAURKB | |
| SCHEMBL6597472 | 0.73 | CDK2 (0.49) | CDK2CDK4IKBKBABL1BCR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373253-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | Cyclacel Limited (GB) | 2004-01-02 | — | — | EP | claimed |
| WO-2002079193-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | CYCLACEL LIMITED (GB) | 2002-10-10 | — | — | WO | claimed |