Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | TTK | P33981 | 2/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.55 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
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 | 0.86 | MAPK14 (0.52) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL1034911 | 0.83 | ROCK2 (0.57) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL1033696 | 0.83 | MTOR (0.61) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL1033626 | 0.81 | CDK1 (0.53) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL3619159 | 0.79 | ADORA1 (0.59) | MAP4K4CNR2HDAC8HDAC6DGAT1 | |
| SCHEMBL1030530 | 0.79 | ADORA1 (0.59) | MAP4K4CNR2HDAC8HDAC6DGAT1 | |
| SCHEMBL1028968 | 0.79 | MAP4K4 (0.55) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL1032453 | 0.78 | ABL1 (0.66) | AURKATTKAURKBINCENPMAP4K4 | |
| SCHEMBL1928387 | 0.78 | RAB9A (0.67) | RAB9ANPC1ERN1HTR2BL3MBTL1 | |
| SCHEMBL1031156 | 0.77 | ALDH1A1 (0.53) | AURKATTKAURKBINCENPMAP4K4 |
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 |