Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14644327 | 0.84 | CCNB2 (0.33) | METCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL23006006 | 0.76 | MET (0.31) | MET | |
| SCHEMBL26795843 | 0.76 | — | — | |
| SCHEMBL2629404 | 0.73 | BCHE (0.42) | MET | |
| SCHEMBL15424471 | 0.72 | MAPT (0.32) | CYP11B2 | |
| SCHEMBL24284152 | 0.72 | CYP1A2 (0.43) | — | |
| SCHEMBL162418 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL7991399 | 0.68 | CYP1A2 (0.43) | — | |
| SCHEMBL26795837 | 0.68 | — | — | |
| SCHEMBL25106981 | 0.68 | BACE1 (0.41) | MET |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013007663-A1 | 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF | Technische Universität Darmstadt (DE) | 2013-01-17 | — | — | WO | disclosed |