Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 5/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25037880 | 0.91 | XDH (0.40) | XDHGRM5ALDH1A1KDM4EHTT | |
| SCHEMBL25038496 | 0.90 | CYP11B1 (0.38) | CYP11B1CYP11B2ALDH1A1KDM4EHTT | |
| SCHEMBL25037883 | 0.90 | XDH (0.39) | XDHCYP11B1CYP11B2GRM5ALDH1A1 | |
| SCHEMBL25038620 | 0.90 | XDH (0.42) | XDHCYP11B1CYP11B2GRM5ALDH1A1 | |
| SCHEMBL25038473 | 0.90 | XDH (0.38) | XDHGRM5ALDH1A1KDM4ELMNA | |
| SCHEMBL25036072 | 0.90 | XDH (0.38) | XDHGRM5ALDH1A1KDM4EHTT | |
| SCHEMBL25038642 | 0.88 | XDH (0.40) | XDHCYP11B1CYP11B2GRM5ALDH1A1 | |
| SCHEMBL25038583 | 0.88 | XDH (0.41) | XDHCYP11B1CYP11B2GRM5ALDH1A1 | |
| SCHEMBL25038466 | 0.88 | CYP11B1 (0.40) | XDHCYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL25038481 | 0.88 | XDH (0.40) | XDHCYP11B1CYP11B2GRM5ALDH1A1 |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |