Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 4/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25118098 | 1.00 | RAF1 (0.37) | RAF1BRAFJAK2NTRK1MAPK14 | |
| SCHEMBL25117792 | 0.88 | JAK2 (0.35) | JAK2NTRK1BRD4ADORA3ADORA2A | |
| SCHEMBL25117922 | 0.85 | JAK2 (0.36) | JAK2NTRK1ADORA3ADORA2AKDM4E | |
| SCHEMBL25117920 | 0.85 | JAK2 (0.36) | JAK2NTRK1ADORA3ADORA2AKDM4E | |
| SCHEMBL25118011 | 0.84 | MKNK2 (0.35) | JAK2NTRK1BRD4IRAK4ADORA3 | |
| SCHEMBL25117793 | 0.82 | JAK2 (0.35) | BRAFJAK2NTRK1BRD4ADORA3 | |
| SCHEMBL25839410 | 0.81 | JAK2 (0.34) | BRAFJAK2NTRK1MAPK14BRD4 | |
| SCHEMBL25118102 | 0.80 | JAK2 (0.37) | JAK2NTRK1BRD4IRAK4ADORA3 | |
| SCHEMBL25117955 | 0.80 | ADORA3 (0.34) | BRD4IRAK4ADORA3ADORA2APOLB | |
| SCHEMBL25117956 | 0.80 | ADORA3 (0.34) | BRD4IRAK4ADORA3ADORA2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-4163283-A1 | COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF | Scinnohub Pharmaceutical Co., Ltd (CN) | 2023-04-12 | — | — | EP | disclosed |