Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 5/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | LCK | P06239 | 3/20 | 0.36 |
| ▸ | TEK | Q02763 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | HCK | P08631 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162958 | 0.85 | MAP4K4 (0.44) | ADORA2AADORA1ADORA2BADKSRC | |
| SCHEMBL20182230 | 0.84 | ADK (0.38) | ADK | |
| SCHEMBL20181879 | 0.82 | RET (0.41) | ADORA2AADORA1ADORA2BADKSRC | |
| SCHEMBL19775103 | 0.80 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BADKSRC | |
| SCHEMBL20182185 | 0.76 | RET (0.41) | ADKSRCKDRLCKABL1 | |
| SCHEMBL2618932 | 0.76 | PIK3CD (0.52) | ADORA2AADORA1ADORA2BADKSRC | |
| SCHEMBL30892143 | 0.75 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BADKPI4KB | |
| SCHEMBL24458478 | 0.73 | RET (0.54) | ADORA2AADORA1ADORA2BADKSRC | |
| SCHEMBL20263231 | 0.72 | RET (0.42) | ADKSRCKDRLCKABL1 | |
| SCHEMBL20162872 | 0.72 | ADK (0.39) | ADK |
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 |