Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 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 | |
|---|---|---|---|---|
| SCHEMBL31706902 | 0.77 | PDPK1 (0.58) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| SCHEMBL129637 | 0.77 | PDPK1 (0.58) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| SCHEMBL14561714 | 0.75 | ADORA2A (0.43) | ADORA2AADORA1CDK2ALDH1A1CYP1A2 | |
| SCHEMBL1014920 | 0.72 | XDH (0.55) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| SCHEMBL29487078 | 0.72 | XDH (0.55) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| Benzene SCHEMBL25427466 | 0.69 | RET (0.52) | ADORA2AADORA1CDK2PDPK1RET | |
| SCHEMBL2629520 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| SCHEMBL19891462 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1CDK2ALDH1A1PDPK1 | |
| SCHEMBL341706 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1CDK2ALDH1A1LMNA | |
| SCHEMBL888387 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1CDK2ALDH1A1CYP1A2 |
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-106459012-A | Quinazolinone derivatives as phosphatidylinositol 3-kinase inhibitors | 吉利德科学公司 | 2017-02-22 | — | — | CN | claimed |