Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | USP2 | O75604 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 5/20 | 0.41 |
| ▸ | CASP7 | P55210 | 5/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND2 | P30279 | 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 | |
|---|---|---|---|---|
| SCHEMBL13845184 | 0.83 | DDR1 (0.45) | ALDH1A1CYP1A2HSD17B10USP2CYP3A4 | |
| SCHEMBL3850532 | 0.82 | KDM1A (0.43) | CYP3A4CYP2C9CDK4HSP90AA1HSP90B1 | |
| SCHEMBL3850531 | 0.82 | KDM1A (0.43) | CYP3A4CYP2C9CDK4HSP90AA1HSP90B1 | |
| SCHEMBL3844885 | 0.79 | USP1 (0.36) | FGFR1HSP90AA1HSP90B1TRAP1JAK2 | |
| SCHEMBL13608396 | 0.78 | ALDH1A1 (0.39) | ALDH1A1LMNAHSP90AA1HSP90B1TRAP1 | |
| SCHEMBL13608502 | 0.77 | TLR7 (0.44) | EGFRFGFR1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL13608042 | 0.77 | IDO1 (0.48) | CYP2C9JAK2JAK3USP1DDR1 | |
| SCHEMBL13608041 | 0.77 | GPR6 (0.35) | HSP90AA1HSP90B1TRAP1JAK3USP1 | |
| SCHEMBL12371649 | 0.77 | HSP90AA1 (0.42) | HSP90AA1HSP90B1TRAP1ADORA3JAK2 | |
| SCHEMBL13608311 | 0.76 | SIK2 (0.42) | HSP90AA1HSP90B1TRAP1ADORA3JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009062059-A2 | ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS | PHARMACOPEIA, INC. (US) | 2009-05-14 | — | — | WO | disclosed |