Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 16/20 | 0.41 |
| ▸ | CDK2 | P24941 | 16/20 | 0.41 |
| ▸ | CCND1 | P24385 | 11/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 11/20 | 0.39 |
| ▸ | CDK1 | P06493 | 10/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 10/20 | 0.39 |
| ▸ | CDK4 | P11802 | 8/20 | 0.39 |
| ▸ | CCND3 | P30281 | 8/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CCNH | P51946 | 2/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL626704 | 0.92 | CCNE1 (0.43) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL625861 | 0.87 | GPR119 (0.46) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL626207 | 0.86 | MAP3K12 (0.46) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL624393 | 0.85 | FYN (0.46) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL626165 | 0.80 | IDO1 (0.47) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL625236 | 0.78 | MAP3K12 (0.45) | CDK5CDK5R1 | |
| SCHEMBL625754 | 0.77 | MAP3K12 (0.40) | — | |
| SCHEMBL626703 | 0.77 | PIK3CA (0.53) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL626172 | 0.76 | DYRK1A (0.38) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL626187 | 0.75 | JAK3 (0.38) | CCNE1CDK2CCND1CDK6CDK1 |
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-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |