Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 3/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
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 | 0.85 | ADORA2A (0.59) | FEN1ALOX5APADORA2AADORA1HRH2 | |
| SCHEMBL3412298 | 0.82 | DHFR (0.47) | DHFRATRFEN1ALOX5APTNK2 | |
| SCHEMBL1030372 | 0.81 | DHFR (0.46) | DHFRFEN1ALOX5APADORA2AADORA1 | |
| SCHEMBL29655604 | 0.72 | DHFR (0.59) | DHFRATRADORA2AADORA1BTK | |
| SCHEMBL1389085 | 0.72 | DHFR (0.59) | DHFRATRADORA2AADORA1BTK | |
| SCHEMBL2320490 | 0.71 | ADORA2A (0.65) | ATRADORA2AADORA1 | |
| SCHEMBL3620507 | 0.71 | TNK2 (0.47) | DHFRFEN1TNK2HRH3 | |
| SCHEMBL28757182 | 0.71 | XDH (0.49) | DHFRPDE4BATRADORA2AADORA1 | |
| SCHEMBL1034532 | 0.70 | GALR2 (0.51) | PIM1PIM2KCNH2 | |
| SCHEMBL1033888 | 0.68 | GABBR2 (0.51) | DHFRFEN1ALOX5APTNK2KCNH2 |
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 |