Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.31 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL23239611 | 0.98 | CHRNA1 (0.33) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23224519 | 0.96 | CA12 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23239631 | 0.95 | HCRTR1 (0.33) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23237109 | 0.95 | CA12 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL24918584 | 0.94 | CHRNA1 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23231858 | 0.93 | CHRNA1 (0.32) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23224450 | 0.93 | CA12 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23224497 | 0.92 | CHRNA1 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23239571 | 0.92 | CA12 (0.35) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL24155970 | 0.92 | AHR (0.34) | CYP1A2ALOX5HCRTR1 |
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-2021070965-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2021-04-15 | — | — | WO | disclosed |