Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 5/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.42 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495960 | 0.91 | KCNH2 (0.43) | MAPK1KCNH2PIK3CGPIK3CAATR | |
| SCHEMBL12077884 | 0.90 | KCNH2 (0.44) | MAPK1KCNH2PIK3CGPIK3CAATR | |
| SCHEMBL12495772 | 0.88 | KCNH2 (0.45) | KCNH2PIK3CGPIK3CAATRPIK3CD | |
| Hydrochloric Acid SCHEMBL12077643 | 0.88 | MAPK1 (0.43) | MAPK1KCNH2GSK3BATRPARP10 | |
| SCHEMBL12495632 | 0.86 | SMN1; SMN2 (0.43) | MAPK1KCNH2PIK3CGPIK3CAGSK3B | |
| SCHEMBL12078765 | 0.86 | KCNH2 (0.59) | MAPK1KCNH2PIK3CGGSK3BPIK3CD | |
| SCHEMBL12496015 | 0.85 | GSK3B (0.44) | MAPK1KCNH2PIK3CGPIK3CAGSK3B | |
| SCHEMBL18936966 | 0.85 | MAPK1 (0.48) | MAPK1KCNH2GSK3BATRPARP10 | |
| SCHEMBL12496252 | 0.83 | KCNH2 (0.44) | KCNH2PIK3CGPIK3CAATRPIK3CD | |
| SCHEMBL12077869 | 0.83 | MAPK1 (0.46) | MAPK1KCNH2GSK3BATRPARP10 |
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 |