Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27453620 | 1.00 | ESR2 (0.47) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27453715 | 0.97 | GABRG2 (0.48) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27453371 | 0.97 | GABRG2 (0.48) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27368467 | 0.96 | ESR2 (0.44) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27453485 | 0.94 | GABRG2 (0.48) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL26277326 | 0.93 | TRPA1 (0.44) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27368560 | 0.93 | ESR2 (0.44) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL26592002 | 0.93 | ESR2 (0.44) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27368452 | 0.93 | ESR2 (0.44) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL26277281 | 0.93 | ESR2 (0.46) | ESR2TRPA1GABRG2GABRB3GABRA5 |
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-2024112021-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2024-05-30 | — | — | WO | disclosed |