Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 3/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 4/20 | 0.34 |
| ▸ | TEK | Q02763 | 3/20 | 0.34 |
| ▸ | LCK | P06239 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 9/20 | 0.33 |
| ▸ | LYN | P07948 | 2/20 | 0.33 |
| ▸ | BLK | P51451 | 2/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL20181900 | 0.89 | KDR (0.37) | FYNSRCLRRK2KDRTEK | |
| SCHEMBL20182203 | 0.77 | CFTR (0.37) | LRRK2KDRTEKLCKRPS6KA3 | |
| SCHEMBL20182279 | 0.71 | FYN (0.39) | FYNSRCKDRTEKLCK | |
| SCHEMBL20182299 | 0.70 | SRC (0.54) | FYNSRCKDRTEKLCK | |
| SCHEMBL20181912 | 0.70 | SRC (0.41) | SRCKDRTEKLCKBTK | |
| SCHEMBL30355044 | 0.70 | CYP1A2 (0.41) | FYNSRCKDRTEKLCK | |
| SCHEMBL20162800 | 0.70 | CYP1A2 (0.41) | FYNSRCKDRTEKLCK | |
| SCHEMBL20162780 | 0.68 | CFTR (0.51) | FYNSRCKDRTEKLCK | |
| SCHEMBL30892140 | 0.68 | CFTR (0.51) | FYNSRCKDRTEKLCK | |
| SCHEMBL20182280 | 0.68 | CFTR (0.38) | LRRK2KDRTEKAURKAAURKB |
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 |