Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 12/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12495633 | 0.91 | KCNH2 (0.39) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL18936980 | 0.86 | KCNH2 (0.43) | KCNH2IKBKBCHUKHTR2AHTR2C | |
| SCHEMBL18936982 | 0.84 | KCNH2 (0.41) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL12077869 | 0.84 | MAPK1 (0.46) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL18936948 | 0.84 | PIK3CG (0.43) | KCNH2ATRPRKDCATMALOX5AP | |
| SCHEMBL12495193 | 0.82 | MAPK1 (0.41) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL12078102 | 0.82 | GSK3B (0.41) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL12495789 | 0.82 | KCNH2 (0.39) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL12495170 | 0.81 | MAPK1 (0.45) | KCNH2ATRPRKDCATMIKBKB | |
| SCHEMBL18937005 | 0.80 | NOS1 (0.38) | KCNH2ATRTYRO3MAP4K1 |
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 |