Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 15/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20182278 | 0.92 | CFTR (0.37) | CFTRRETRIPK1 | |
| SCHEMBL20182354 | 0.91 | CFTR (0.41) | CFTRRETKDRTEKLRRK2 | |
| SCHEMBL20182220 | 0.90 | CFTR (0.39) | CFTRRETKDRTEKLRRK2 | |
| SCHEMBL20182355 | 0.85 | CFTR (0.38) | CFTRRETLRRK2RIPK1 | |
| SCHEMBL20182362 | 0.85 | CFTR (0.40) | CFTRRETKDRTEK | |
| SCHEMBL20182356 | 0.83 | CFTR (0.39) | CFTRRIPK1 | |
| SCHEMBL20182263 | 0.83 | CFTR (0.40) | CFTRLRRK2RIPK1 | |
| SCHEMBL20182197 | 0.78 | CFTR (0.43) | CFTRKDRTEK | |
| SCHEMBL23283674 | 0.78 | CFTR (0.48) | CFTR | |
| SCHEMBL20182269 | 0.77 | CFTR (0.38) | CFTRLRRK2RIPK1 |
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 |