Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29126098 | 0.88 | LRRK2 (0.40) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL28598005 | 0.84 | LRRK2 (0.55) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL28593022 | 0.82 | LRRK2 (0.54) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL29126132 | 0.80 | EGFR (0.38) | HSP90AA1HSP90AB1LRRK2EGFRJAK2 | |
| SCHEMBL28925019 | 0.80 | LRRK2 (0.50) | LRRK2MAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL21723719 | 0.80 | LRRK2 (0.42) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL29126163 | 0.78 | MAPT (0.47) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL30718282 | 0.78 | MAPT (0.47) | HSP90AA1HSP90AB1LRRK2MAPTKDM4E | |
| SCHEMBL30718279 | 0.73 | LRRK2 (0.75) | LRRK2 | |
| SCHEMBL28925004 | 0.71 | EGFR (0.47) | LRRK2EGFRALK |
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-117247387-A | Aromatic heterocyclic compound and preparation method thereof | 上海翊石医药科技有限公司 | 2023-12-19 | — | — | CN | disclosed |