Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | RAC1 | P63000 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | KDM5A | P29375 | 3/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4939866 | 0.86 | IKBKB (0.50) | IKBKBCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4947306 | 0.75 | SMARCA2 (0.49) | IKBKBBTKCHUKJAK2JAK1 | |
| SCHEMBL4942772 | 0.74 | IKBKB (0.56) | IKBKBMYCPDE2ACHUKSCN9A | |
| SCHEMBL4946214 | 0.74 | IKBKB (0.71) | IKBKBCHUK | |
| SCHEMBL5256948 | 0.72 | BTK (0.42) | IKBKBCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4942229 | 0.71 | IKBKB (0.53) | IKBKBMYCPDE2ACHUKSCN9A | |
| SCHEMBL4945716 | 0.71 | IKBKB (0.52) | IKBKBMYCPDE2ACHUK | |
| SCHEMBL4944352 | 0.70 | IKBKB (0.52) | IKBKBBTKCHUKSCN9A | |
| SCHEMBL7148162 | 0.70 | IKBKB (0.43) | IKBKBMYCPDE2ASCN9A | |
| SCHEMBL14028470 | 0.70 | IKBKB (0.70) | IKBKBGSK3AGSK3BCHUK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1326856-A1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY | Bayer Aktiengesellschaft (DE) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002024679-A1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |