Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 17/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 14/20 | 0.41 |
| ▸ | CDK1 | P06493 | 13/20 | 0.41 |
| ▸ | CCND1 | P24385 | 12/20 | 0.41 |
| ▸ | CDK4 | P11802 | 11/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 10/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 9/20 | 0.41 |
| ▸ | CCND3 | P30281 | 8/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | CCNH | P51946 | 2/20 | 0.40 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL625109 | 0.91 | CDK2 (0.46) | MAP3K12CDK2CCNE1CDK1CCND1 | |
| SCHEMBL626188 | 0.89 | MAP3K12 (0.41) | MAP3K12CDK2CCNE1CDK1CCND1 | |
| SCHEMBL625108 | 0.86 | CDK2 (0.42) | MAP3K12CDK2CCNE1CDK1CCND1 | |
| SCHEMBL626206 | 0.86 | PIK3CA (0.53) | MAP3K12PIK3CA | |
| SCHEMBL627467 | 0.86 | HASPIN (0.43) | MAP3K12CCNT1PIK3CA | |
| SCHEMBL627322 | 0.85 | FYN (0.48) | MAP3K12PIK3CA | |
| SCHEMBL626795 | 0.84 | PIK3CA (0.41) | MAP3K12PIK3CA | |
| SCHEMBL626207 | 0.83 | MAP3K12 (0.46) | MAP3K12CDK2CCNE1CDK1CCND1 | |
| SCHEMBL628258 | 0.81 | DPP4 (0.38) | PIK3CA | |
| SCHEMBL625753 | 0.77 | PIK3CA (0.49) | MAP3K12PIK3CA |
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 |