Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.52 |
| ▸ | CNR1 | P21554 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL23148946 | 1.00 | CNR2 (0.52) | CNR2CNR1KCNH2ALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL29616543 | 0.89 | DPP4 (0.50) | CNR2CNR1KCNH2ALDH1A1LMNA | |
| SCHEMBL28729019 | 0.83 | CNR2 (0.39) | CNR2CNR1KCNH2ALDH1A1LMNA | |
| SCHEMBL23149025 | 0.83 | CNR2 (0.45) | CNR2CNR1KCNH2GRM5HDAC4 | |
| SCHEMBL29849689 | 0.83 | CNR2 (0.45) | CNR2CNR1KCNH2GRM5HDAC4 | |
| SCHEMBL23149188 | 0.77 | GRM5 (0.52) | CNR2CNR1ALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL23148960 | 0.74 | CHRM1 (0.47) | ALDH1A1SMN1; SMN2NPSR1GRM5MAPK1 | |
| Hydrochloric Acid SCHEMBL29616565 | 0.74 | CHRM1 (0.47) | ALDH1A1SMN1; SMN2NPSR1GRM5MAPK1 | |
| SCHEMBL23211807 | 0.73 | NPC1 (0.51) | ALDH1A1SMN1; SMN2NPSR1MAPK1L3MBTL1 | |
| SCHEMBL23149021 | 0.71 | GRM5 (0.47) | CNR2CNR1KCNH2GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114401968-A | Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-26 | — | — | CN | disclosed |