Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL31452734 | 0.85 | ADORA2A (0.44) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL24920789 | 0.79 | HCRTR2 (0.37) | ALDH1A1CHRM4HCRTR1HCRTR2 | |
| SCHEMBL24920837 | 0.77 | ALKBH1 (0.34) | ALDH1A1CHRM4 | |
| SCHEMBL24921496 | 0.74 | NPC1 (0.42) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL24922530 | 0.73 | MET (0.42) | KDM4EALDH1A1MAPTMAPK1NPSR1 | |
| SCHEMBL24920808 | 0.73 | ALDH1A1 (0.38) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL23421743 | 0.72 | ADORA2A (0.47) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL29684458 | 0.72 | ADORA2A (0.47) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL10677397 | 0.72 | ADORA2A (0.40) | ADORA2AKDM4EALDH1A1MAPTHTT | |
| SCHEMBL12286453 | 0.71 | ADORA2A (0.43) | ADORA2AKDM4EALDH1A1ADORA3ADORA2B |
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-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |