Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 11/20 | 0.57 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.57 |
| ▸ | CHUK | O15111 | 1/20 | 0.53 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.53 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1033479 | 0.85 | PTGS2 (0.55) | IKBKBMAPK8MAPK9MAPK10 | |
| SCHEMBL1031156 | 0.83 | ALDH1A1 (0.53) | IKBKBMAPK8MAPK9MAPK10ALDH1A1 | |
| SCHEMBL1033696 | 0.78 | MTOR (0.61) | MAPK10ALDH1A1HPGDDGAT1MEN1 | |
| SCHEMBL3619159 | 0.76 | ADORA1 (0.59) | IKBKBMAPK8MAPK9MAPK10DGAT1 | |
| SCHEMBL1028968 | 0.76 | MAP4K4 (0.55) | IKBKBMAPK8MAPK9MAPK10GAA | |
| SCHEMBL1033626 | 0.76 | CDK1 (0.53) | IKBKBMAPK8MAPK9MAPK10MAPK14 | |
| SCHEMBL1030530 | 0.76 | ADORA1 (0.59) | IKBKBMAPK8MAPK9MAPK10DGAT1 | |
| SCHEMBL1033986 | 0.76 | PTK2 (0.49) | IKBKBDGAT1 | |
| SCHEMBL1030447 | 0.75 | MAPK14 (0.52) | MAPK8MAPK10MAPK14DGAT1 | |
| SCHEMBL1033097 | 0.73 | MKNK1 (0.57) | MAPK10 |
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 2 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 |