Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 7/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 5/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033888 | 0.85 | GABBR2 (0.51) | DHFRALOX5APFEN1TNK2KCNH2 | |
| SCHEMBL1033184 | 0.82 | DHFR (0.45) | DHFRADORA2AADORA1PIM1PIM2 | |
| SCHEMBL1389085 | 0.80 | DHFR (0.59) | DHFRADORA2AADORA1DYRK1AATR | |
| SCHEMBL29655604 | 0.80 | DHFR (0.59) | DHFRADORA2AADORA1DYRK1AATR | |
| SCHEMBL3120412 | 0.70 | GABBR2 (0.77) | PIM1PIM2PDE10AKCNH2FLT3 | |
| SCHEMBL14014608 | 0.68 | DHODH (0.44) | PIM1PIM2DYRK1APLATFLT3 | |
| SCHEMBL1034532 | 0.68 | GALR2 (0.51) | PIM1PIM2KCNH2FLT3 | |
| SCHEMBL30046490 | 0.67 | KDM4E (0.54) | DHFRADORA2AADORA1DYRK1AATR | |
| SCHEMBL3618779 | 0.67 | ADORA2A (0.59) | ADORA2AADORA1ALOX5APFEN1 | |
| SCHEMBL31541600 | 0.67 | DYRK1A (0.81) | PIM1DYRK1AKCNH2 |
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-2010068863-A2 | PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | claimed |
| WO-2010068863-A2 | PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |