Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA9 | Q16790 | 6/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200101 | 0.91 | CA12 (0.53) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL17675706 | 0.79 | CA12 (0.67) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL1861965 | 0.78 | NQO2 (0.46) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL16390959 | 0.78 | HDAC8 (0.36) | TDP1L3MBTL1 | |
| SCHEMBL3160972 | 0.76 | CA12 (0.64) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL21601421 | 0.76 | L3MBTL1 (0.61) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL21612913 | 0.76 | ALDH1A1 (0.34) | SCN9ABCHECYP2C19TDP1 | |
| SCHEMBL5177256 | 0.76 | PTPN1 (0.39) | CYP2C19 | |
| SCHEMBL1416092 | 0.75 | SMN1; SMN2 (0.44) | L3MBTL1 | |
| SCHEMBL27604643 | 0.75 | AURKA (0.43) | CA1CA2CYP2C19DRD2 |
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 |