Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
| ▸ | CLK3 | P49761 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21484352 | 1.00 | HRH3 (0.36) | HRH3TLR7MAP3K11JAK2JAK1 | |
| SCHEMBL21484313 | 0.86 | MEN1 (0.38) | JAK2JAK1TYK2JAK3KCNH2 | |
| SCHEMBL30862663 | 0.83 | NPC1 (0.35) | PDE1B | |
| SCHEMBL21484354 | 0.83 | TLR7 (0.34) | HRH3TLR7JAK2JAK1TYK2 | |
| SCHEMBL24541937 | 0.80 | NPC1 (0.36) | — | |
| SCHEMBL21409297 | 0.80 | NPC1 (0.36) | — | |
| SCHEMBL30862665 | 0.79 | TDP1 (0.38) | PDE1B | |
| SCHEMBL17290075 | 0.78 | CYP11B1 (0.39) | — | |
| SCHEMBL17289652 | 0.78 | MCHR1 (0.43) | HRH3KCNH2 | |
| SCHEMBL21484350 | 0.78 | PIM1 (0.40) | HRH3KCNH2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112812117-B | Novel crystal form of BTK inhibitor and preparation method thereof | 中国医药研究开发中心有限公司 | 2023-12-22 | — | — | CN | disclosed |