Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24084229 | 0.83 | PDK2 (0.43) | BCAT1PDK2GRIA1CACNG8ALDH1A1 | |
| SCHEMBL24084247 | 0.82 | ADORA2A (0.43) | BCAT1ARCYP11B2DYRK1ACNR2 | |
| SCHEMBL1605889 | 0.80 | PDK2 (0.46) | BCAT1PDK2ALDH1A1CYP11B2GABRA1 | |
| SCHEMBL2651882 | 0.80 | BCAT1 (0.41) | BCAT1PDK2CYP11B2DYRK1AGABRA1 | |
| SCHEMBL2651366 | 0.78 | ESR2 (0.46) | BCAT1PDK2CYP11B2GABRG2GABRB3 | |
| SCHEMBL29741728 | 0.78 | DYRK1A (0.44) | BCAT1GRIA1CACNG8ALDH1A1AR | |
| SCHEMBL1813129 | 0.78 | DYRK1A (0.44) | BCAT1GRIA1CACNG8ALDH1A1AR | |
| SCHEMBL9069188 | 0.75 | ESR2 (0.43) | BCAT1PDK2ARCYP11B2GABRA1 | |
| SCHEMBL24084268 | 0.74 | AR (0.51) | ARCYP11B2CYP11B1 | |
| SCHEMBL24084180 | 0.74 | AR (0.48) | ALDH1A1ARCYP11B2CNR2CNR1 |
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-3700997-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2021-12-08 | — | — | EP | disclosed |