Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.53 |
| ▸ | CCND1 | P24385 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 13/20 | 0.49 |
| ▸ | DRD2 | P14416 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742157 | 0.84 | CDK4 (0.75) | CDK4CCND1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL7089110 | 0.81 | DRD3 (0.39) | CDK4CCND1DRD4DRD2GSK3B | |
| SCHEMBL5741803 | 0.76 | CDK4 (0.76) | CDK4CCND1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL5742541 | 0.75 | CDK4 (0.74) | CDK4CCND1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL5742172 | 0.72 | CDK4 (0.82) | CDK4CCND1MAPTGSK3AGSK3B | |
| SCHEMBL5743209 | 0.71 | CDK4 (0.74) | CDK4CCND1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL5742183 | 0.70 | CDK4 (0.58) | CDK4CCND1MAPTGSK3AGSK3B | |
| SCHEMBL5743138 | 0.70 | TUBB8B (0.56) | CDK4CCND1MAPTGSK3AGSK3B | |
| SCHEMBL5743300 | 0.70 | CDK4 (0.60) | CDK4CCND1GSK3AGSK3BCDK5 | |
| SCHEMBL31059887 | 0.69 | CDK4 (1.00) | CDK4CCND1MAPTSMN1; SMN2KDM4E |
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 |