Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 11/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 10/20 | 0.42 |
| ▸ | F2RL3 | Q96RI0 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 7/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.38 |
| ▸ | CCND1 | P24385 | 6/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 6/20 | 0.38 |
| ▸ | CDK4 | P11802 | 5/20 | 0.38 |
| ▸ | CCND3 | P30281 | 5/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL626172 | 0.87 | DYRK1A (0.38) | IDO1CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL624431 | 0.85 | FYN (0.48) | CDK2CCNE1F2RL3CDK1CCNB1 | |
| SCHEMBL626207 | 0.84 | MAP3K12 (0.46) | IDO1CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL626187 | 0.84 | JAK3 (0.38) | IDO1CDK2CCNE1F2RL3CDK1 | |
| SCHEMBL626164 | 0.82 | FYN (0.51) | IDO1CDK2CCNE1CCND1CDK6 | |
| SCHEMBL626704 | 0.81 | CCNE1 (0.43) | IDO1CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL624394 | 0.80 | CCNE1 (0.41) | IDO1CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL623928 | 0.77 | FYN (0.49) | CDK2F2RL3CDK1CCND1CDK6 | |
| SCHEMBL625861 | 0.77 | GPR119 (0.46) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL627168 | 0.75 | CCNE1 (0.39) | IDO1CDK2CCNE1CDK1CCNB1 |
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 |