Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 3/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 7/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18937027 | 0.87 | ATR (0.45) | ATRMAPKAPK2KCNH2 | |
| SCHEMBL12077563 | 0.84 | MAP4K4 (0.39) | ATRMAPKAPK2KCNH2CDC7DBF4 | |
| SCHEMBL18936948 | 0.82 | PIK3CG (0.43) | ATRKCNH2 | |
| SCHEMBL18936981 | 0.80 | KCNH2 (0.39) | ATRKCNH2TYRO3MAP4K1 | |
| SCHEMBL27160046 | 0.79 | MAPKAPK2 (0.34) | MAPKAPK2CDC7DBF4MAP4K1 | |
| SCHEMBL12090677 | 0.76 | TYRO3 (0.34) | ATRMAPKAPK2MAPK1KCNH2TYRO3 | |
| SCHEMBL18937000 | 0.76 | PIK3CG (0.42) | KCNH2TYRO3 | |
| SCHEMBL29964679 | 0.75 | MAPKAPK2 (0.39) | MAPKAPK2MAPK1CDC7DBF4MAP4K1 | |
| SCHEMBL12495990 | 0.74 | MAP4K4 (0.39) | ATRKCNH2CDC7TYRO3NEK2 | |
| SCHEMBL24457369 | 0.74 | PARP10 (0.46) | MAPKAPK2 |
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-2681206-B1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS INC (US) | 2017-06-14 | — | — | EP | disclosed |