Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 8/20 | 0.60 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.56 |
| ▸ | PAK4 | O96013 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 6/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3705469 | 0.78 | CYP3A4 (0.52) | PAK1AXLBRAFCYP3A4CYP2C19 | |
| SCHEMBL3705466 | 0.78 | CYP3A4 (0.52) | PAK1BTKAXLBRAFCYP3A4 | |
| SCHEMBL13941746 | 0.77 | AXL (0.50) | AXLBRAFCYP3A4CYP2C19AAK1 | |
| SCHEMBL30267564 | 0.77 | AXL (0.50) | AXLBRAFCYP3A4CYP2C19AAK1 | |
| SCHEMBL4570625 | 0.77 | BRAF (0.56) | PAK1AXLBRAFCYP3A4CYP2C19 | |
| SCHEMBL12146867 | 0.76 | CYP2C19 (0.47) | AXLBRAFCYP3A4CYP2C19AAK1 | |
| SCHEMBL25251383 | 0.75 | LMNA (0.56) | AXLBRAFCYP3A4CYP2C19KMT2A | |
| SCHEMBL30566010 | 0.75 | LMNA (0.56) | AXLBRAFCYP3A4CYP2C19KMT2A | |
| SCHEMBL857306 | 0.75 | PAK1 (0.48) | PAK1PKN1PAK4BTKAXL | |
| SCHEMBL3710853 | 0.75 | NEK2 (0.50) | PAK1PAK4AXLBRAFCYP3A4 |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |