Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL399198 | 0.84 | ADORA1 (0.53) | ALDH1A1HSD17B10ADORA2AADORA1GPR3 | |
| SCHEMBL30913008 | 0.81 | ALDH1A1 (0.73) | ALDH1A1HSD17B10ADORA2AKDM4ENPC1 | |
| SCHEMBL29210837 | 0.81 | ALDH1A1 (0.73) | ALDH1A1HSD17B10ADORA2AKDM4ENPC1 | |
| SCHEMBL396792 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HSD17B10ADORA2AGPR3L3MBTL1 | |
| SCHEMBL25012067 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4ENPC1GAA | |
| SCHEMBL8823578 | 0.76 | METAP2 (0.48) | ALDH1A1HSD17B10ADORA2AADORA1METAP2 | |
| SCHEMBL16099410 | 0.76 | GPR3 (0.49) | ALDH1A1HSD17B10ADORA2AADORA1METAP2 | |
| SCHEMBL5671941 | 0.73 | ALDH1A1 (0.70) | ALDH1A1HSD17B10ADORA2AKDM4ENPC1 | |
| SCHEMBL29520503 | 0.73 | ALDH1A1 (0.70) | ALDH1A1HSD17B10ADORA2AKDM4ENPC1 | |
| SCHEMBL5840598 | 0.72 | SLC13A5 (0.51) | ADORA2AADORA1XDHATRKIF11 |
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-112011063-B | Cu-organic framework material based on V-type ligand and preparation method and application thereof | 西安工程大学 | 2022-04-29 | — | — | CN | claimed |