Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29068347 | 0.83 | MMP13 (0.50) | DPP4 | |
| SCHEMBL23212057 | 0.83 | CACNA1B (0.43) | CACNA1BCACNA2D1CACNB1CACNA1CDPP4 | |
| SCHEMBL4395343 | 0.83 | IDO1 (0.47) | CACNA1BCACNA2D1CACNB1CACNA1CDPP4 | |
| SCHEMBL21381670 | 0.80 | CACNA1B (0.42) | CACNA1BCACNA2D1CACNB1CACNA1COPRM1 | |
| SCHEMBL23211957 | 0.80 | CACNA1B (0.42) | CACNA1BCACNA2D1CACNB1CACNA1COPRM1 | |
| SCHEMBL21381650 | 0.78 | SLC6A3 (0.51) | CACNA1BCACNA2D1CACNB1CACNA1CDPP4 | |
| SCHEMBL6229667 | 0.76 | HTR2A (0.56) | CACNA1BCACNA2D1CACNB1CACNA1CCYP2D6 | |
| Hydrochloric Acid SCHEMBL29068367 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL29068352 | 0.73 | SLC6A4 (0.41) | DPP4DPP9DPP7SLC6A3 | |
| SCHEMBL29068343 | 0.73 | HDAC1 (0.41) | DPP4 |
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-111936503-B | Oxazine monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2023-09-12 | — | — | CN | disclosed |