Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 14/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947043 | 1.00 | MAP4K4 (0.46) | MAP4K4ABL1ADORA2AADORA2BADORA1 | |
| SCHEMBL21621265 | 0.92 | MAP4K4 (0.46) | MAP4K4ABL1ADORA2AADORA2BADORA1 | |
| SCHEMBL21621285 | 0.88 | MAP4K4 (0.46) | MAP4K4ABL1ADORA2AADORA1 | |
| SCHEMBL29947049 | 0.88 | MAP4K4 (0.46) | MAP4K4ABL1ADORA2AADORA1 | |
| SCHEMBL21621299 | 0.87 | ADORA1 (0.46) | MAP4K4ABL1ADORA2AADORA1MAPK14 | |
| SCHEMBL30738303 | 0.86 | ABL1 (0.42) | MAP4K4ABL1ADORA1KDR | |
| SCHEMBL22179960 | 0.86 | ABL1 (0.42) | MAP4K4ABL1ADORA1KDR | |
| SCHEMBL29947232 | 0.85 | ADORA3 (0.48) | MAP4K4ABL1ADORA2AADORA2BADORA1 | |
| SCHEMBL21621284 | 0.85 | ADORA3 (0.48) | MAP4K4ABL1ADORA2AADORA2BADORA1 | |
| SCHEMBL21621278 | 0.84 | ADORA2B (0.46) | MAP4K4ABL1ADORA2AADORA2BADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-111094254-A | Heteroaryl derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | CN | disclosed |
| WO-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |