Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 5/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.51 |
| ▸ | CDK4 | P11802 | 5/20 | 0.51 |
| ▸ | CDK2 | P24941 | 4/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.51 |
| ▸ | CCND1 | P24385 | 3/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.48 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.48 |
| ▸ | CCND3 | P30281 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1031885 | 0.87 | CDK1 (0.52) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1028968 | 0.84 | MAP4K4 (0.55) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1034820 | 0.83 | CDK4 (0.57) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1034791 | 0.77 | MAPK1 (0.54) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1033923 | 0.76 | IKBKB (0.59) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1032673 | 0.76 | CDK1 (0.55) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1033580 | 0.76 | CDK1 (0.55) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL21621306 | 0.76 | CDK4 (0.63) | CDK4MAPK8MAPK9MAPK10IKBKB | |
| SCHEMBL1033674 | 0.75 | CDK1 (0.57) | CDK1CCNB1CDK4CDK2CCNA2 | |
| SCHEMBL1033987 | 0.75 | IKBKB (0.56) | CDK1CCNB1CDK4CDK2CCNA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010151747-A1 | PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-12-29 | — | — | WO | claimed |
| WO-2011008931-A2 | ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010151747-A1 | PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-12-29 | — | — | WO | disclosed |