Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 17/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30114810 | 1.00 | NUDT1 (0.34) | NUDT1NISCHADORA2AADORA2B | |
| SCHEMBL20436371 | 0.84 | ADORA2A (0.46) | ADORA2AADORA2B | |
| SCHEMBL30114630 | 0.84 | ADORA2A (0.46) | ADORA2AADORA2B | |
| SCHEMBL28632709 | 0.84 | KDM4E (0.35) | ADORA2AADORA2B | |
| SCHEMBL28632690 | 0.82 | NUDT1 (0.38) | NUDT1NISCHADORA2AADORA2B | |
| SCHEMBL30114867 | 0.82 | NUDT1 (0.38) | NUDT1NISCHADORA2AADORA2B | |
| SCHEMBL30114734 | 0.81 | ADORA2A (0.39) | NISCHADORA2AADORA2B | |
| SCHEMBL28628129 | 0.81 | ADORA2A (0.39) | NISCHADORA2AADORA2B | |
| SCHEMBL28569440 | 0.74 | ADORA2A (0.34) | NISCHADORA2AADORA2B | |
| SCHEMBL20436374 | 0.72 | ADORA2A (0.36) | ADORA2AADORA2B |
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-113429410-B | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |