Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | IKBKB | O14920 | 5/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 5/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | INSR | P06213 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | FLT1 | P17948 | 1/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1029427 | 0.89 | ALOX5 (0.49) | HDAC8CTSKCDK1CCNB1CCNB2 | |
| SCHEMBL1034547 | 0.85 | EIF2AK2 (0.58) | IKBKBCTSKCDK1CCNB1CCNB2 | |
| SCHEMBL3452962 | 0.84 | ALOX5 (0.50) | HDAC8IKBKBCTSKCDK1CCNB1 | |
| SCHEMBL1033093 | 0.82 | IKBKB (0.52) | IKBKBCTSKCDK1CCNB1CCNB2 | |
| SCHEMBL3648299 | 0.82 | MAPK10 (0.60) | HDAC8IKBKBCTSKCDK1CCNB1 | |
| SCHEMBL21621267 | 0.81 | IKBKB (0.59) | HDAC8IKBKBGSK3BMAPK10MAPK8 | |
| SCHEMBL30299645 | 0.81 | IKBKB (0.59) | HDAC8IKBKBGSK3BMAPK10MAPK8 | |
| SCHEMBL3643870 | 0.81 | MAPK10 (0.58) | HDAC8IKBKBCDK1CCNB1CCNB2 | |
| SCHEMBL1034820 | 0.80 | CDK4 (0.57) | HDAC8IKBKBCTSKCDK1CCNB1 | |
| SCHEMBL1032138 | 0.80 | IKBKB (0.76) | HDAC8IKBKBCTSKCDK1CCNB1 |
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 |