Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzothiophene SCHEMBL17443004 | 1.00 | CYP2A6 (0.41) | CYP2A6CTNNB1WNT3AALDH1A1CYP3A4 | |
| Anthracene SCHEMBL7079431 | 0.98 | CYP2A6 (0.42) | CYP2A6CTNNB1WNT3AALDH1A1CYP3A4 | |
| Benzothiophene SCHEMBL29383883 | 0.90 | — | — | |
| Benzothiophene SCHEMBL29415494 | 0.90 | — | — | |
| Benzothiophene SCHEMBL28545602 | 0.90 | CA12 (0.42) | CYP2A6CTNNB1WNT3AALDH1A1HSD17B10 | |
| Benzothiophene SCHEMBL28399890 | 0.90 | CA12 (0.42) | CYP2A6CTNNB1WNT3AALDH1A1HSD17B10 | |
| Benzothiophene SCHEMBL7023 | 0.90 | — | — | |
| Benzothiophene SCHEMBL253491 | 0.90 | CA12 (0.42) | CYP2A6CTNNB1WNT3AALDH1A1HSD17B10 | |
| Benzothiophene SCHEMBL451494 | 0.90 | — | — | |
| Benzothiophene SCHEMBL27873783 | 0.90 | CA12 (0.42) | CYP2A6CTNNB1WNT3AALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285515-A | Deuterated composition, organic electroluminescent device and application thereof | 阜阳欣奕华材料科技有限公司 | 2023-12-26 | — | — | CN | claimed |
| CN-118284278-A | Light emitting device, electronic device including the same, and electronic apparatus | 三星显示有限公司 | 2024-07-02 | — | — | CN | disclosed |