Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28881032 | 1.00 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BDHFRPIK3R1 | |
| SCHEMBL21621165 | 0.89 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL29947054 | 0.87 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL28938537 | 0.87 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL21621289 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL29947063 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL30353603 | 0.74 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BDHFRPIK3R1 | |
| SCHEMBL28342683 | 0.74 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BDHFRPIK3R1 | |
| SCHEMBL30353588 | 0.73 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BDHFRADORA3 | |
| SCHEMBL30353567 | 0.73 | ADORA1 (0.36) | ADORA2AADORA1ADORA2BKMT2A |
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 |