Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 3/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 3/20 | 0.40 |
| ▸ | JAK1 | P23458 | 3/20 | 0.40 |
| ▸ | JAK3 | P52333 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25616564 | 0.88 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3HCAR1 | |
| SCHEMBL30866992 | 0.87 | RPS6KA5 (0.43) | ADORA3ADORA2BSIRT2JAK2JAK1 | |
| SCHEMBL18818255 | 0.87 | RPS6KA5 (0.43) | ADORA3ADORA2BSIRT2JAK2JAK1 | |
| SCHEMBL18289975 | 0.87 | RPS6KA5 (0.43) | ADORA3ADORA2BSIRT2JAK2JAK1 | |
| SCHEMBL23216993 | 0.82 | ALDH1A1 (0.40) | ADORA3ADORA2BCHRM2CHRM4CHRM1 | |
| SCHEMBL18285551 | 0.82 | BTK (0.45) | JAK2JAK1JAK3 | |
| SCHEMBL18285554 | 0.82 | BTK (0.45) | JAK2JAK1JAK3 | |
| SCHEMBL30111811 | 0.82 | BTK (0.39) | JAK2JAK1JAK3OPRM1 | |
| SCHEMBL29737109 | 0.78 | RXFP1 (0.34) | OPRM1 | |
| SCHEMBL30111813 | 0.77 | BTK (0.46) | HCAR1JAK2JAK1PIK3CA |
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-114380820-A | Hetero-fused ring derivative and application thereof in medicine | 海思科医药集团股份有限公司 | 2022-04-22 | — | — | CN | disclosed |