Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22639434 | 0.77 | HSD17B1 (0.50) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL619730 | 0.77 | ESR1 (0.61) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25861903 | 0.76 | PRSS1 (0.43) | ESR2ALOX5PRSS1PRSS2PRSS3 | |
| SCHEMBL25862047 | 0.76 | PRSS1 (0.43) | PRSS1PRSS2PRSS3CNR1CNR2 | |
| SCHEMBL27403260 | 0.76 | MEN1 (0.51) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31411927 | 0.76 | HSD17B1 (0.73) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL10871253 | 0.75 | ESR1 (0.59) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27403741 | 0.74 | MEN1 (0.49) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5005580 | 0.73 | HSD17B1 (0.59) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24689800 | 0.72 | PRSS1 (0.46) | CYP2C9PRSS1PRSS2PRSS3 |
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-2024122840-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2024-06-13 | — | — | WO | disclosed |