Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 5/20 | 0.45 |
| ▸ | HCK | P08631 | 3/20 | 0.45 |
| ▸ | ITK | Q08881 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 5/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28554401 | 1.00 | MAP3K12 (0.46) | MAP3K12BTKHCKITKKDR | |
| SCHEMBL21777160 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| SCHEMBL21777159 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| SCHEMBL23608029 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| SCHEMBL30167089 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| Hydrochloric Acid SCHEMBL23608055 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| Hydrochloric Acid SCHEMBL23607999 | 0.91 | BTK (0.54) | MAP3K12BTKHCKITKJAK3 | |
| SCHEMBL23608042 | 0.90 | BTK (0.44) | MAP3K12BTKHCKITKKDR | |
| SCHEMBL23608053 | 0.90 | BTK (0.47) | MAP3K12BTKHCKITKKDR | |
| SCHEMBL23608033 | 0.90 | BTK (0.43) | MAP3K12BTKHCKITKKDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-112638910-B | New heterocyclic amine derivatives and pharmaceutical compositions containing the same | 株式会社大熊制药 | 2024-06-11 | — | — | CN | disclosed |
| CN-112638910-A | Novel heterocyclic amine derivatives and pharmaceutical compositions comprising the same | 株式会社大熊制药 | 2021-04-09 | — | — | CN | disclosed |