Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 5/20 | 0.35 |
| ▸ | BECN1 | Q14457 | 4/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.32 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL22858337 | 0.78 | USP30 (0.33) | AAK1DRD2MAPK14 | |
| SCHEMBL16629272 | 0.74 | MAPK14 (0.36) | AAK1BCL2BECN1CTSSCTSK | |
| SCHEMBL22858338 | 0.73 | STK17B (0.37) | AAK1 | |
| SCHEMBL22858298 | 0.72 | MAPK14 (0.41) | AAK1ALDH1A1CTSSCTSKDRD2 | |
| SCHEMBL18138239 | 0.67 | DRD2 (0.39) | AAK1KMT2AALDH1A1BCL2BECN1 | |
| SCHEMBL3304675 | 0.67 | AAK1 (0.39) | AAK1MAPK14BACE1 | |
| SCHEMBL30661581 | 0.67 | AAK1 (0.39) | AAK1MAPK14BACE1 | |
| SCHEMBL31482852 | 0.66 | CYSLTR2 (0.45) | AAK1DRD2MAPK14BACE1 | |
| SCHEMBL30896793 | 0.66 | CYSLTR2 (0.45) | AAK1DRD2MAPK14BACE1 | |
| SCHEMBL21597824 | 0.66 | MAPK14 (0.43) | DRD2MAPK14 |
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-2021000957-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 北京国鸿生物医药科技有限公司 | 2021-01-07 | — | — | WO | disclosed |