Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.48 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8221333 | 0.83 | HSP90AA1 (0.52) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL28701258 | 0.81 | HSP90AA1 (0.49) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL28677011 | 0.79 | HDAC1 (0.39) | ADORA2AHDAC1 | |
| SCHEMBL29794067 | 0.75 | ADORA2A (0.62) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL10329726 | 0.75 | ADORA2A (0.62) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL17889388 | 0.75 | PDE2A (0.47) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL31403622 | 0.74 | ADORA2A (0.46) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118840 | 0.73 | HSP90AA1 (0.63) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL8418316 | 0.73 | ADORA2A (0.42) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL25546964 | 0.72 | HSP90AA1 (0.66) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A |
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-113773327-B | Preparation method of pyrazolopyrimidinyltriazole ring compound | 八叶草健康产业研究院(厦门)有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-113773327-A | Preparation method of pyrazolopyrimidinyltriazole ring compound | 八叶草健康产业研究院(厦门)有限公司 | 2021-12-10 | — | — | CN | disclosed |