Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 6/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.33 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL22493899 | 0.68 | CDK2 (0.43) | ADORA2AADORA2BCDK2MCHR1MEN1 | |
| SCHEMBL13529913 | 0.68 | DCK (0.47) | ADORA2AADORA2BCDK2MCHR1MEN1 | |
| SCHEMBL13530549 | 0.67 | DCK (0.46) | ADORA2AADORA2BCDK2MCHR1MEN1 | |
| SCHEMBL6786301 | 0.66 | MAOA (0.32) | AXLTYRO3MERTKTSHRKDM4C | |
| SCHEMBL6792082 | 0.65 | MAOA (0.33) | AXLTYRO3MERTKCDK2TSHR | |
| SCHEMBL27303515 | 0.65 | HDAC6 (0.40) | CDK2ALDH1A1HSD17B10CDK1CCNB1 | |
| SCHEMBL16294820 | 0.64 | MCHR1 (0.51) | CDK2MAPK8MCHR1CCNA2CCNA1 | |
| SCHEMBL28275390 | 0.64 | CDK2 (0.42) | CDK2MCHR1MEN1KMT2ACCNA2 | |
| SCHEMBL21943365 | 0.63 | TMIGD3 (0.41) | MERTKMAPK8MEN1KMT2AALDH1A1 | |
| SCHEMBL28330424 | 0.63 | HRH3 (0.46) | — |
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-109311882-A | adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2019-02-05 | — | — | CN | disclosed |