Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL21621289 | 1.00 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BCLK4TGFBR1 | |
| SCHEMBL29947036 | 0.87 | CLK4 (0.41) | ADORA2AADORA1ADORA2BCLK4PIK3R1 | |
| SCHEMBL21621295 | 0.87 | CLK4 (0.41) | ADORA2AADORA1ADORA2BCLK4PIK3R1 | |
| SCHEMBL28345881 | 0.85 | ADORA1 (0.41) | ADORA2AADORA1ADORA2BTGFBR1LCK | |
| SCHEMBL30209591 | 0.85 | ADORA1 (0.41) | ADORA2AADORA1ADORA2BTGFBR1LCK | |
| SCHEMBL21621165 | 0.84 | ADORA2A (0.50) | ADORA2AADORA1ADORA2B | |
| SCHEMBL21621296 | 0.83 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BCLK4TGFBR1 | |
| SCHEMBL21621287 | 0.83 | ADORA1 (0.39) | ADORA2AADORA1ADORA2BCLK4TGFBR1 | |
| SCHEMBL29947005 | 0.83 | ADORA1 (0.39) | ADORA2AADORA1ADORA2BCLK4TGFBR1 | |
| SCHEMBL29947093 | 0.83 | ADORA1 (0.61) | ADORA2AADORA1TGFBR1PIK3CALCK |
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 2 patents. 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 |
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |