Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342683 | 1.00 | ADORA2A (0.40) | ADORA2AADORA1PIK3R1PIK3CADHFR | |
| SCHEMBL30353582 | 0.90 | ADORA2A (0.37) | ADORA2AADORA1PIK3R1PIK3CADHFR | |
| SCHEMBL28342689 | 0.90 | ADORA2A (0.37) | ADORA2AADORA1PIK3R1PIK3CADHFR | |
| SCHEMBL28345401 | 0.89 | ADORA2A (0.43) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL30353568 | 0.89 | ADORA2A (0.43) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL30353584 | 0.89 | ADORA2A (0.37) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL28345454 | 0.89 | ADORA2A (0.37) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL30353606 | 0.87 | CCNA2 (0.48) | ADORA2AADORA1PIK3R1PIK3CAADORA3 | |
| SCHEMBL28342638 | 0.87 | CCNA2 (0.48) | ADORA2AADORA1PIK3R1PIK3CAADORA3 | |
| SCHEMBL30353599 | 0.84 | ADORA2A (0.41) | ADORA2AADORA1PIK3R1PIK3CAADORA3 |
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-110655509-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |