Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | CDK4 | P11802 | 3/20 | 0.39 |
| ▸ | CCND1 | P24385 | 3/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.39 |
| ▸ | CDK11A | Q9UQ88 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL5743346 | 0.84 | CDK4 (0.59) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL7093004 | 0.81 | CDK4 (0.53) | DRD2CDK4CCND1GSK3BDRD4 | |
| SCHEMBL5742541 | 0.72 | CDK4 (0.74) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5742964 | 0.72 | CDK4 (0.75) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5742101 | 0.72 | CDK4 (0.64) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5742426 | 0.72 | CCNA2 (0.62) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5742766 | 0.70 | CDK4 (0.62) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5743446 | 0.69 | CCNA2 (0.64) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5743581 | 0.68 | CDK4 (0.79) | CDK4CCND1CCNT1CDK9CDK6 | |
| SCHEMBL5741803 | 0.67 | CDK4 (0.76) | CDK4CCND1CCNT1CDK9CDK6 |
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-1358169-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057261-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-25 | — | — | WO | disclosed |