Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 7/20 | 0.37 |
| ▸ | TEK | Q02763 | 4/20 | 0.37 |
| ▸ | LCK | P06239 | 3/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 7/20 | 0.33 |
| ▸ | BTK | Q06187 | 4/20 | 0.33 |
| ▸ | LYN | P07948 | 1/20 | 0.32 |
| ▸ | BLK | P51451 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.32 |
| ▸ | ABL1 | P00519 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | HCK | P08631 | 3/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 3/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20182360 | 0.89 | FYN (0.35) | KDRTEKLCKRPS6KA3LRRK2 | |
| SCHEMBL20182203 | 0.87 | CFTR (0.37) | KDRTEKLCKRPS6KA3LRRK2 | |
| SCHEMBL20182223 | 0.73 | RPS6KA3 (0.40) | KDRTEKLCKRPS6KA3FYN | |
| SCHEMBL20162726 | 0.70 | CFTR (0.49) | KDRTEKLCKLRRK2FYN | |
| SCHEMBL20182299 | 0.70 | SRC (0.54) | KDRTEKLCKFYNSRC | |
| SCHEMBL30037914 | 0.70 | CFTR (0.49) | KDRTEKLCKLRRK2FYN | |
| SCHEMBL20181912 | 0.70 | SRC (0.41) | KDRTEKLCKSRCBTK | |
| SCHEMBL20182220 | 0.69 | CFTR (0.39) | KDRTEKLCKLRRK2 | |
| SCHEMBL20182263 | 0.68 | CFTR (0.40) | LRRK2 | |
| SCHEMBL20182353 | 0.68 | KDR (0.32) | KDRTEKLCKLRRK2SRC |
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 |