Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.39 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 3/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | VRK2 | Q86Y07 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | PIP4K2B | P78356 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18936981 | 0.86 | KCNH2 (0.39) | KCNH2MAP4K1HTR2AHTR2CIKBKB | |
| SCHEMBL12495179 | 0.86 | KCNH2 (0.44) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL12496241 | 0.85 | KCNH2 (0.45) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL18936979 | 0.84 | KCNH2 (0.46) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL12077934 | 0.83 | MAPK1 (0.54) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL18937024 | 0.82 | KCNH2 (0.56) | KCNH2MAP4K4 | |
| SCHEMBL12496245 | 0.82 | MAPK1 (0.48) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL12496293 | 0.82 | KCNH2 (0.43) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL12495780 | 0.78 | KCNH2 (0.43) | KCNH2MAP4K4MINK1PIK3CAPI4KB | |
| SCHEMBL12495782 | 0.78 | KCNH2 (0.43) | KCNH2MAP4K4MINK1PIK3CAPI4KB |
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 |