Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546858 | 0.97 | AR (0.40) | ARADRA2CBRD4GABRA1GABRG2 | |
| SCHEMBL21546957 | 0.92 | AR (0.41) | ARADRA2CBRD4GABRA1GABRG2 | |
| SCHEMBL21546672 | 0.91 | AR (0.42) | ARADRA2CBRD4GABRA1GABRG2 | |
| SCHEMBL21546859 | 0.90 | AR (0.40) | ARADRA2CBRD4GABRA1GABRG2 | |
| SCHEMBL21546955 | 0.90 | AR (0.40) | ARADRA2CBRD4GABRA1GABRG2 | |
| SCHEMBL22760959 | 0.90 | TRPA1 (0.41) | ADRA2CGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL22760967 | 0.90 | ALDH1A3 (0.39) | ARADRA2CBRD4ALDH1A3ALDH1A1 | |
| SCHEMBL21546689 | 0.89 | ALDH1A3 (0.42) | ADRA2CGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL21546662 | 0.88 | AR (0.41) | ARBRD4ALDH1A3ALDH1A1CYP1A2 | |
| SCHEMBL22760961 | 0.87 | ALDH1A3 (0.39) | ADRA2CALDH1A3MEN1ALDH1A1CYP1A2 |
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-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |