Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | TEK | Q02763 | 3/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.34 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 5/20 | 0.34 |
| ▸ | SRC | P12931 | 6/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20182242 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL20182234 | 0.87 | EGFR (0.35) | LRRK2EGFRTEKERBB2ERBB3 | |
| SCHEMBL20181912 | 0.86 | SRC (0.41) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20182195 | 0.86 | NTRK1 (0.33) | LRRK2EGFRTEKERBB2ERBB3 | |
| SCHEMBL20182255 | 0.85 | SRC (0.39) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20182197 | 0.84 | CFTR (0.43) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20182198 | 0.84 | SRC (0.34) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20182227 | 0.83 | EGFR (0.36) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20181916 | 0.83 | CFTR (0.39) | EGFRTEKKDRSRCLCK | |
| SCHEMBL20182204 | 0.82 | KDR (0.37) | EGFRTEKKDRSRCLCK |
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 |