Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 8/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24565966 | 0.77 | KIT (0.48) | KITCYP3A4CYP2C9CYP2C19AAK1 | |
| SCHEMBL17952128 | 0.75 | NTRK1 (0.62) | KITPIK3CASLC2A1AXLNTRK1 | |
| SCHEMBL22049447 | 0.72 | CYP2C9 (0.36) | KITCYP3A4CYP2C9CYP2C19AAK1 | |
| SCHEMBL27920535 | 0.71 | SLC22A6 (0.45) | KITAXLCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL25781685 | 0.70 | NTRK1 (0.47) | KITPIK3CASLC2A1AXLNTRK1 | |
| SCHEMBL7921128 | 0.69 | MET (0.46) | AXLCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13199598 | 0.66 | CYP3A4 (0.44) | KITCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15154998 | 0.66 | GSK3B (0.56) | KITNTRK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21902710 | 0.66 | CYP2C19 (0.40) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31228005 | 0.66 | BRD4 (0.54) | KITAXLCYP3A4CYP2C9CYP2C19 |
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 |