Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 4/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | IGF1R | P08069 | 3/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3546850 | 0.92 | PLK1 (0.47) | ALDH1A1HPGDSMN1; SMN2PLK1RPS6KB1 | |
| SCHEMBL3546619 | 0.91 | PLK1 (0.39) | ALDH1A1HPGDKDM4ESMN1; SMN2PLK1 | |
| SCHEMBL3558617 | 0.91 | PLK1 (0.39) | ALDH1A1HPGDKDM4ESMN1; SMN2PLK1 | |
| SCHEMBL3550499 | 0.91 | PLK1 (0.39) | PLK1RPS6KB1AR | |
| SCHEMBL3552091 | 0.88 | PLK1 (0.38) | ALDH1A1HPGDKDM4EPLK1RPS6KB1 | |
| SCHEMBL3558801 | 0.88 | PLK1 (0.38) | ALDH1A1HPGDKDM4EPLK1RPS6KB1 | |
| SCHEMBL2199169 | 0.88 | PLK1 (0.43) | ALDH1A1HPGDSMN1; SMN2PLK1RPS6KB1 | |
| SCHEMBL2197926 | 0.88 | PLK1 (0.37) | ALDH1A1HPGDKDM4ESMN1; SMN2PLK1 | |
| SCHEMBL3559127 | 0.87 | CDK2 (0.37) | ALDH1A1HPGDPLK1RPS6KB1CDK1 | |
| SCHEMBL2200194 | 0.86 | VNN1 (0.36) | ALDH1A1HPGDKDM4ESMN1; SMN2PLK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2116543-A1 | NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-11-11 | — | — | EP | disclosed |