Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1780573 | 0.78 | MAPK13 (0.59) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL6246075 | 0.77 | MAPK14 (0.66) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL1777876 | 0.76 | CYP11B1 (0.55) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL29953690 | 0.75 | ADORA2A (0.47) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL28143990 | 0.73 | ALDH1A1 (0.51) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL6672302 | 0.73 | CNR1 (0.49) | ADORA2AADORA1CNR1AURKAPARP1 | |
| Benzene SCHEMBL28175507 | 0.73 | ALDH1A1 (0.51) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL857278 | 0.72 | CCNB2 (0.68) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL1777845 | 0.72 | ADORA2A (0.50) | ADORA2AADORA1CNR1MAPK14MAPK13 | |
| SCHEMBL1780538 | 0.71 | CNR1 (0.47) | ADORA2AADORA1CNR1AURKAPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |