Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.57 |
| ▸ | FYN | P06241 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | AURKA | O14965 | 2/20 | 0.49 |
| ▸ | TTK | P33981 | 2/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 5/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.48 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | INSR | P06213 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1030447 | 0.85 | MAPK14 (0.52) | ROCK2HDAC8AURKATTKAURKB | |
| SCHEMBL1034808 | 0.83 | AURKA (0.55) | ROCK2HDAC8AURKATTKAURKB | |
| SCHEMBL1033696 | 0.82 | MTOR (0.61) | HDAC8AURKATTKAURKBINCENP | |
| SCHEMBL1034632 | 0.81 | HDAC8 (0.51) | ROCK2HDAC8AURKATTKAURKB | |
| SCHEMBL1033626 | 0.80 | CDK1 (0.53) | AURKATTKAURKBINCENPDGAT1 | |
| SCHEMBL22026419 | 0.79 | ROCK2 (0.81) | ROCK2 | |
| SCHEMBL1028968 | 0.78 | MAP4K4 (0.55) | ROCK2FYNAURKATTKAURKB | |
| SCHEMBL1030530 | 0.78 | ADORA1 (0.59) | HDAC8DGAT1CDK1CCNB1CCNB2 | |
| SCHEMBL3619159 | 0.78 | ADORA1 (0.59) | HDAC8DGAT1CDK1CCNB1CCNB2 | |
| SCHEMBL1033479 | 0.78 | PTGS2 (0.55) | AURKATTKAURKBINCENPCDK1 |
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 |