Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL26276960 | 0.96 | ESR2 (0.42) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26276038 | 0.96 | GABRG2 (0.43) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25775229 | 0.92 | ESR2 (0.41) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27368544 | 0.89 | ESR2 (0.44) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26276045 | 0.89 | ESR2 (0.43) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26276959 | 0.88 | GABRG2 (0.41) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26553218 | 0.87 | CYP11B1 (0.43) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26275683 | 0.87 | GABRG2 (0.44) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25774473 | 0.87 | GABRG2 (0.41) | GABRG2GABRB3GABRA5GABRA3TRPA1 | |
| SCHEMBL26553205 | 0.86 | TRPA1 (0.42) | ESR2GABRG2GABRB3GABRA5GABRA3 |
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-2023172112-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2023-09-14 | — | — | WO | disclosed |