Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 15/20 | 0.62 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.59 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.58 |
| ▸ | KIT | P10721 | 1/20 | 0.55 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.54 |
| ▸ | AXL | P30530 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.53 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.53 |
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | PRKCG | P05129 | 1/20 | 0.50 |
| ▸ | INSR | P06213 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | FES | P07332 | 1/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.50 |
| ▸ | ROS1 | P08922 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL25785930 | 0.86 | AXL (0.71) | NTRK1NEK1AXLCDK8TNIK | |
| SCHEMBL25839063 | 0.84 | DYRK1A (0.63) | NTRK1PIK3CAKITNEK1AXL | |
| SCHEMBL25781685 | 0.82 | NTRK1 (0.47) | NTRK1SLC2A1PIK3CAKITAXL | |
| SCHEMBL19068217 | 0.82 | NTRK1 (0.70) | NTRK1SLC2A1PIK3CAKITNEK1 | |
| SCHEMBL28614283 | 0.81 | JAK2 (0.75) | NTRK1SLC2A1PIK3CAKITNEK1 | |
| SCHEMBL17952449 | 0.81 | NTRK1 (0.77) | NTRK1SLC2A1PIK3CADYRK1A | |
| SCHEMBL25839064 | 0.80 | DYRK1A (0.56) | NTRK1KITAXLCDK8TNIK | |
| SCHEMBL26174763 | 0.80 | KIT (0.49) | NTRK1PIK3CAKITAXLCDK8 | |
| SCHEMBL3765160 | 0.79 | CDK8 (0.85) | NTRK1PIK3CANEK1AXLCDK8 | |
| SCHEMBL18576770 | 0.77 | NTRK1 (1.00) | NTRK1SLC2A1PIK3CAKITNEK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2016118951-A2 | HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER | CONFLUENCE LIFE SCIENCES, INC. (US) | 2016-07-28 | — | — | WO | disclosed |