Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 2/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.57 |
| ▸ | ROS1 | P08922 | 1/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.57 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.55 |
| ▸ | FER | P16591 | 1/20 | 0.55 |
| ▸ | LTK | P29376 | 1/20 | 0.55 |
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 7/20 | 0.50 |
| ▸ | CDC7 | O00311 | 2/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2787830 | 0.85 | MAOA (0.73) | MAOAMAOBGSTP1PDE3BPDE3A | |
| SCHEMBL17346927 | 0.73 | ACVR1 (0.50) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL3616249 | 0.73 | LRRK2 (0.64) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL3614440 | 0.73 | CHEK1 (0.81) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL6298884 | 0.73 | ACVR1 (0.64) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL9094472 | 0.73 | ACVR1 (0.64) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL1368292 | 0.72 | LRRK2 (1.00) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL5918370 | 0.72 | ALDH1A1 (0.68) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| Hydrochloric Acid SCHEMBL6299954 | 0.70 | LRRK2 (0.95) | ACVR1LRRK2ROS1CDK5PDGFRA | |
| SCHEMBL28312734 | 0.70 | GSTP1 (0.47) | ACVR1LRRK2PDGFRAFERLTK |
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 |
|---|---|---|---|---|---|---|---|
| CN-110183387-A | Dibenzo diaza * ketone derivatives with anticancer activity and its preparation method and application | 新乡医学院 | 2019-08-30 | — | — | CN | disclosed |