Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 17/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TEK | Q02763 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20181900 | 0.87 | KDR (0.37) | LRRK2LCKKDRTEKRPS6KA3 | |
| SCHEMBL20182220 | 0.82 | CFTR (0.39) | CFTRLRRK2LCKKDRTEK | |
| SCHEMBL20182263 | 0.81 | CFTR (0.40) | CFTRLRRK2 | |
| SCHEMBL20182360 | 0.77 | FYN (0.35) | LRRK2LCKKDRTEKRPS6KA3 | |
| SCHEMBL20182269 | 0.76 | CFTR (0.38) | CFTRLRRK2 | |
| SCHEMBL20182281 | 0.76 | FLT3 (0.39) | CFTR | |
| SCHEMBL20182280 | 0.75 | CFTR (0.38) | CFTRLRRK2KDRTEK | |
| SCHEMBL20181896 | 0.74 | CFTR (0.42) | CFTR | |
| SCHEMBL20182354 | 0.74 | CFTR (0.41) | CFTRLRRK2KDRTEK | |
| SCHEMBL29768981 | 0.72 | CFTR (0.59) | CFTR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |