Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 10/20 | 0.37 |
| ▸ | CDK2 | P24941 | 10/20 | 0.37 |
| ▸ | CDK1 | P06493 | 9/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 8/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SMG1 | Q96Q15 | 4/20 | 0.35 |
| ▸ | WEE1 | P30291 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL13648065 | 0.89 | APOBEC3A (0.42) | SLC2A1ALDH1A1 | |
| SCHEMBL13648063 | 0.87 | MAPT (0.37) | SLC2A1EGFRALDH1A1TGM2KDR | |
| SCHEMBL13648049 | 0.83 | SCN9A (0.40) | CDK2CDK1EGFRALDH1A1CDK4 | |
| SCHEMBL13648053 | 0.82 | EED (0.36) | CDK2CDK1WEE1CDK4CCNE1 | |
| SCHEMBL14489538 | 0.82 | TAAR1 (0.44) | SLC2A1CDK2CDK1ALDH1A1KDR | |
| SCHEMBL13648061 | 0.81 | MAPK8 (0.41) | WEE1ALDH1A1 | |
| SCHEMBL13647969 | 0.75 | MEN1 (0.40) | CDK2CDK1WEE1CDK4CCNE1 | |
| SCHEMBL13647850 | 0.71 | POLB (0.39) | CDK2CDK1EGFRALDH1A1CCNE1 | |
| SCHEMBL13647859 | 0.70 | CDC7 (0.39) | CDK2GSK3BCCNT1CDK4CDK9 | |
| SCHEMBL13514026 | 0.69 | AURKA (0.34) | SLC2A1MTORCDK2CDK1SMG1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7598245-B2 | Aminotriazole compounds useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-06 | — | — | US | disclosed |
| US-7226920-B2 | Aminotriazole compounds useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INC. (US) | 2007-06-05 | — | — | US | disclosed |