Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL23479427 | 0.96 | ESR1 (0.32) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23478871 | 0.89 | — | — | |
| SCHEMBL23479415 | 0.88 | — | — | |
| SCHEMBL23479439 | 0.87 | — | — | |
| SCHEMBL23479153 | 0.85 | — | — | |
| SCHEMBL23479533 | 0.84 | ESR1 (0.36) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23478814 | 0.82 | — | — | |
| SCHEMBL23479385 | 0.82 | ESR1 (0.35) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23479032 | 0.82 | — | — | |
| SCHEMBL23478842 | 0.81 | MEN1 (0.36) | ESR1ESR2CYP1A2CYP3A4CYP2D6 |
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-2021112444-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-06-10 | — | — | WO | disclosed |