Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 12/20 | 0.46 |
| ▸ | CDK2 | P24941 | 12/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 12/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11930930 | 0.75 | CHEK1 (1.00) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL14051065 | 0.72 | CHEK1 (0.59) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893387 | 0.69 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL15026293 | 0.65 | CHEK1 (0.64) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL11751464 | 0.64 | CHEK1 (0.45) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL17850056 | 0.63 | CHEK1 (0.56) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL15007512 | 0.63 | CHEK1 (0.56) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL21483 | 0.63 | CHEK1 (0.56) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL30579419 | 0.63 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL11930771 | 0.63 | CHEK1 (1.00) | CHEK1CCNA2CDK2CCNA1 |
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-2069349-B1 | PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-06-15 | — | — | EP | disclosed |