Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 5/20 | 0.45 |
| ▸ | JAK1 | P23458 | 5/20 | 0.45 |
| ▸ | ATR | Q13535 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.41 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16718808 | 0.94 | ATR (0.47) | JAK2JAK1ATRALDH1A1TSHR | |
| SCHEMBL16718795 | 0.87 | JAK2 (0.47) | JAK2JAK1ATRALDH1A1TSHR | |
| SCHEMBL16729326 | 0.82 | JAK2 (0.44) | JAK2JAK1ALDH1A1TSHRPIK3CD | |
| SCHEMBL16729330 | 0.75 | JAK3 (0.47) | JAK2JAK1JAK3 | |
| SCHEMBL16729327 | 0.73 | KDM4E (0.47) | JAK2JAK1ALDH1A1TSHRPIK3CD | |
| SCHEMBL16729261 | 0.73 | JAK2 (0.44) | JAK2JAK1ATRPIK3CDPIK3CG | |
| SCHEMBL17657815 | 0.72 | PIK3CG (0.49) | JAK2JAK1PIK3CDPIK3CGPIK3R2 | |
| SCHEMBL16718875 | 0.72 | KDM4E (0.44) | JAK2JAK1PIK3CDPIK3CGPIK3CA | |
| SCHEMBL13842185 | 0.72 | ATR (0.40) | ATRPBKMAPK1OPRK1 | |
| SCHEMBL16729253 | 0.71 | JAK2 (0.46) | JAK2JAK1ATRPIK3CDPIK3CG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015073267-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2015073267-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-05-21 | — | — | WO | disclosed |