Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 7/20 | 0.32 |
| ▸ | PPARA | Q07869 | 7/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL24748983 | 0.83 | CA12 (0.45) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24748914 | 0.83 | CA12 (0.45) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24750831 | 0.82 | CA12 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL14145681 | 0.81 | PPARG (0.35) | CYP2C9CYP2C19CYP1A2CA12CA1 | |
| SCHEMBL24750891 | 0.80 | CA12 (0.42) | CYP2C9CYP2C19CYP1A2CA12CA1 | |
| SCHEMBL24750922 | 0.80 | CA12 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24748705 | 0.80 | CA12 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24748735 | 0.80 | CA12 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24747951 | 0.79 | CA12 (0.41) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL24748781 | 0.79 | CA12 (0.41) | CYP2C9CYP2C19CA12CA1CA2 |
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-2022259886-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-12-15 | — | — | WO | disclosed |