Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17179033 | 0.87 | GABRA1 (0.40) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL20618802 | 0.77 | ALDH1A1 (0.46) | TSHR | |
| SCHEMBL17734438 | 0.76 | ADORA2A (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL270874 | 0.73 | GABRG2 (0.61) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL29425207 | 0.73 | GABRG2 (0.61) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18411368 | 0.72 | GABRG2 (0.59) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18411383 | 0.72 | GABRG2 (0.59) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| Biphenyl SCHEMBL29234256 | 0.71 | TSHR (0.62) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2154026 | 0.71 | CLK4 (0.65) | CLK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17254110 | 0.70 | DRD2 (0.39) | CLK4GABRA1GABRG2GABRB3GABRA5 |
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-2016076629-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-05-19 | — | — | WO | disclosed |