Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 4/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 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 | |
|---|---|---|---|---|
| SCHEMBL28343110 | 1.00 | ADK (0.48) | ADKADORA1ADORA2AAKT1ROCK1 | |
| SCHEMBL29947093 | 0.83 | ADORA1 (0.61) | ADORA1ADORA2ATGFBR1LCKKDR | |
| SCHEMBL28345882 | 0.83 | ADORA1 (0.61) | ADORA1ADORA2ATGFBR1LCKKDR | |
| SCHEMBL29947057 | 0.80 | ADORA1 (0.55) | ADORA1ADORA2ATGFBR1 | |
| SCHEMBL21621288 | 0.80 | ADORA1 (0.55) | ADORA1ADORA2ATGFBR1 | |
| SCHEMBL23965690 | 0.80 | ADORA1 (0.47) | ADORA1ADORA2ATGFBR1LCKKDR | |
| SCHEMBL21621289 | 0.78 | ADORA2A (0.53) | ADORA1ADORA2ALMNACYP1A2CYP3A4 | |
| SCHEMBL29947063 | 0.78 | ADORA2A (0.53) | ADORA1ADORA2ALMNACYP1A2CYP3A4 | |
| SCHEMBL21621287 | 0.77 | ADORA1 (0.39) | ADORA1ADORA2ALMNACLK4TGFBR1 | |
| SCHEMBL29947005 | 0.77 | ADORA1 (0.39) | ADORA1ADORA2ALMNACLK4TGFBR1 |
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-110684020-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-20 | — | — | CN | disclosed |