Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680659 | 0.98 | ALDH1A1 (0.57) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL6680902 | 0.97 | ALDH1A1 (0.59) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL6384756 | 0.94 | ALDH1A1 (0.51) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL6859419 | 0.87 | KMT2A (0.47) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL8147783 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL8099853 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL8093492 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL5332047 | 0.84 | CYP3A4 (0.50) | ALDH1A1KMT2AKDM4EMEN1TSHR | |
| SCHEMBL11083329 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CA12CA9KMT2AKDM4E | |
| SCHEMBL5511949 | 0.84 | ALDH1A1 (0.52) | ALDH1A1SLC37A4 |
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-115335378-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2022-11-11 | — | — | CN | disclosed |