Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 12/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 12/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 11/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30524597 | 0.86 | ADRA2A (0.37) | ADRA2AADRA2CADRA2BHRH4CXCR4 | |
| SCHEMBL29849568 | 0.86 | ADRA2A (0.37) | ADRA2AADRA2CADRA2BHRH4CXCR4 | |
| SCHEMBL29656652 | 0.78 | IP6K1 (0.45) | — | |
| SCHEMBL29656687 | 0.75 | SOS1 (0.40) | HRH4 | |
| SCHEMBL29849609 | 0.72 | PARP1 (0.38) | — | |
| SCHEMBL29656475 | 0.71 | MAP3K12 (0.32) | — | |
| SCHEMBL81916 | 0.70 | ADRA2A (0.40) | ADRA2AADRA2CADRA2BHRH4CXCR4 | |
| SCHEMBL1190541 | 0.68 | HRH4 (0.38) | ADRA2AADRA2CADRA2BHRH4CXCR4 | |
| SCHEMBL1189572 | 0.68 | HRH4 (0.38) | ADRA2AADRA2CADRA2BHRH4CXCR4 | |
| SCHEMBL23247053 | 0.67 | HTR3A (0.48) | HRH4HTR3A |
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-116568689-A | Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-08-08 | — | — | CN | disclosed |