Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19494323 | 0.83 | CHEK1 (0.37) | IKBKBMAPK1GFERCHEK1 | |
| SCHEMBL19494346 | 0.81 | RAB9A (0.41) | IKBKB | |
| SCHEMBL19494391 | 0.81 | IKBKB (0.34) | IKBKBMAPK1GFERTYK2MAPK9 | |
| SCHEMBL19494421 | 0.79 | MAPK1 (0.34) | MAPK1GFERCHEK1 | |
| SCHEMBL19494722 | 0.70 | — | — | |
| SCHEMBL19494700 | 0.70 | — | — | |
| SCHEMBL19494521 | 0.70 | CA2 (0.41) | IKBKBMAPK1GFERCHEK1KCNH2 | |
| SCHEMBL19494318 | 0.67 | ALDH1A1 (0.35) | IKBKBMAPK1GFERCHEK1 | |
| SCHEMBL19494688 | 0.67 | MAPT (0.52) | GFER | |
| SCHEMBL19494410 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2994463-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2017-10-25 | — | — | EP | disclosed |