Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25869575 | 0.85 | PDK2 (0.34) | CRHBPCRHR2KEAP1NFE2L2 | |
| SCHEMBL25869466 | 0.85 | CRHBP (0.34) | CRHBPCRHR2KEAP1NFE2L2 | |
| SCHEMBL16558474 | 0.84 | CRHBP (0.39) | CRHBPCRHR2KEAP1NFE2L2CHRM2 | |
| SCHEMBL25845578 | 0.84 | CRHBP (0.30) | CRHBPCRHR2KEAP1NFE2L2 | |
| SCHEMBL25845581 | 0.84 | PDK2 (0.34) | CRHBPCRHR2KEAP1NFE2L2 | |
| SCHEMBL25845372 | 0.83 | PDK2 (0.32) | — | |
| SCHEMBL16558472 | 0.83 | CRHBP (0.41) | CRHBPCRHR2KEAP1NFE2L2CHRM2 | |
| SCHEMBL25869339 | 0.82 | PDK2 (0.34) | — | |
| SCHEMBL25853921 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL25845583 | 0.81 | TYMS (0.31) | — |
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-2023120714-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-06-29 | — | — | WO | disclosed |