Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 12/20 | 0.55 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621288 | 1.00 | ADORA1 (0.55) | ADORA1RPS6KA3MAP4K4ADORA2AEGFR | |
| SCHEMBL28345882 | 0.89 | ADORA1 (0.61) | ADORA1MAP4K4ADORA2AKMT2ATGFBR1 | |
| SCHEMBL29947093 | 0.89 | ADORA1 (0.61) | ADORA1MAP4K4ADORA2AKMT2ATGFBR1 | |
| SCHEMBL23965690 | 0.88 | ADORA1 (0.47) | ADORA1RPS6KA3MAP4K4ADORA2AKMT2A | |
| SCHEMBL30721834 | 0.84 | MAP4K4 (0.49) | MAP4K4EGFRTGFBR1PIK3CDPIK3CA | |
| SCHEMBL22172329 | 0.84 | MAP4K4 (0.49) | MAP4K4EGFRTGFBR1PIK3CDPIK3CA | |
| SCHEMBL30353569 | 0.84 | ADORA1 (0.53) | ADORA1RPS6KA3ADORA2AKMT2A | |
| SCHEMBL28342675 | 0.84 | ADORA1 (0.53) | ADORA1RPS6KA3ADORA2AKMT2A | |
| SCHEMBL22180298 | 0.83 | MAP4K4 (0.51) | MAP4K4EGFRTGFBR1 | |
| SCHEMBL24119096 | 0.83 | ADORA1 (0.55) | ADORA1RPS6KA3ADORA2AKMT2APIK3CD |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| 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 |