Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 4/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3618779 | 0.86 | ADORA2A (0.59) | ADORA2AADORA1ALOX5APFEN1HRH2 | |
| SCHEMBL1033184 | 0.81 | DHFR (0.45) | DHFRADORA2AADORA1ALOX5APFEN1 | |
| SCHEMBL3620507 | 0.71 | TNK2 (0.47) | DHFRFEN1HRH3 | |
| SCHEMBL2409415 | 0.68 | DHODH (0.53) | DHFRMAP4K4GABRA1GABRG2GABRB3 | |
| SCHEMBL6134331 | 0.68 | ADORA1 (0.45) | DHFRADORA2AADORA1MAP4K4GABRA1 | |
| SCHEMBL12137691 | 0.67 | MAP4K4 (0.45) | DHFRADORA2AADORA1MAP4K4GABRA1 | |
| SCHEMBL30788667 | 0.65 | RXRA (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26188309 | 0.65 | ALDH1A1 (0.59) | RXRARXRB | |
| SCHEMBL8469211 | 0.65 | RXRA (0.72) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22831324 | 0.64 | MAP4K4 (0.50) | DHFRMAP4K4GABRA1GABRG2GABRB3 |
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 |