Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23020057 | 0.92 | ALDH1A3 (0.38) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23020059 | 0.87 | CYP11B1 (0.40) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23020108 | 0.86 | GRM5 (0.42) | TSHRHSD17B10MAPK1 | |
| SCHEMBL19939366 | 0.86 | PDE4D (0.47) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23020058 | 0.86 | PDE4A (0.42) | ALDH1A3CLK4PARP1 | |
| SCHEMBL19939362 | 0.85 | PDE4D (0.48) | ALDH1A3ADORA2ACLK4 | |
| SCHEMBL23020105 | 0.84 | CYP1A2 (0.53) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11992211 | 0.83 | ALDH1A3 (0.40) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22987003 | 0.83 | GABRG2 (0.52) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22986972 | 0.82 | GABRG2 (0.55) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3392242-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |