Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562393 | 0.89 | SMN1; SMN2 (0.35) | ABCB1ABCG2ALDH1A3MYCSTS | |
| SCHEMBL21547125 | 0.89 | PDK2 (0.39) | PDK2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562273 | 0.89 | MYC (0.40) | PDK2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562595 | 0.89 | ACP1 (0.35) | PDK2XDHGABRA1GABRG2GABRB3 | |
| SCHEMBL22562480 | 0.88 | XDH (0.36) | PDK2XDHGABRA1GABRG2GABRB3 | |
| SCHEMBL22562270 | 0.88 | TGFBR1 (0.38) | XDHIRAK4 | |
| SCHEMBL22761025 | 0.87 | ALDH1A3 (0.42) | PDK2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562277 | 0.87 | ALDH1A3 (0.38) | PDK2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562275 | 0.86 | MYC (0.42) | PDK2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22562443 | 0.86 | ABCB1 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |