Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 15/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 4/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ITK | Q08881 | 2/20 | 0.33 |
| ▸ | TEC | P42680 | 1/20 | 0.33 |
| ▸ | BMX | P51813 | 1/20 | 0.33 |
| ▸ | CD69 | Q07108 | 1/20 | 0.33 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.33 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 2/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL25718208 | 0.92 | BTK (0.35) | BTKTNK2EGFRERBB4KCNH2 | |
| SCHEMBL25715417 | 0.80 | KDR (0.37) | BTKTNK2EGFRERBB4KCNH2 | |
| SCHEMBL25716908 | 0.80 | BTK (0.33) | BTKTNK2EGFRERBB4KCNH2 | |
| SCHEMBL25714869 | 0.79 | KDR (0.47) | BTKEGFRERBB4KCNH2LCK | |
| SCHEMBL25714868 | 0.77 | KDR (0.39) | TNK2ERBB4LCKPLK4AURKA | |
| SCHEMBL25718203 | 0.76 | — | — | |
| SCHEMBL25716910 | 0.74 | KDR (0.46) | BTKTNK2EGFRERBB4LCK | |
| SCHEMBL25715529 | 0.73 | FLT3 (0.43) | BTKEGFRERBB4ITKLCK | |
| SCHEMBL25715654 | 0.73 | BTK (0.41) | BTKTNK2EGFRERBB4KCNH2 | |
| SCHEMBL25714867 | 0.72 | MAP4K4 (0.40) | TNK2ERBB4LCKPLK4AURKA |
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-2023104035-A1 | SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 英矽智能科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |