Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.43 |
| ▸ | ARG1 | P05089 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.36 |
| ▸ | CPN1 | P15169 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 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 | |
|---|---|---|---|---|
| SCHEMBL22170676 | 0.80 | GBA1 (0.51) | GBA1CACNA2D1CACNA1BCACNB1ARG1 | |
| SCHEMBL2719300 | 0.80 | GABRP (0.43) | GABRA5GABRB2GABRA1GABRA4ITGB3 | |
| SCHEMBL4475140 | 0.79 | CACNA2D1 (0.58) | GBA1CACNA2D1CACNA1BCACNB1ARG1 | |
| SCHEMBL22557352 | 0.78 | NR1H2 (0.56) | GBA1CACNA2D1CACNA1BCACNB1CHRNB2 | |
| SCHEMBL17112610 | 0.78 | GABRP (0.44) | GABRA5GABRB2GABRA1GABRA4ITGB3 | |
| SCHEMBL16797329 | 0.78 | GABRP (0.44) | GABRA5GABRB2GABRA1GABRA4ITGB3 | |
| SCHEMBL26926456 | 0.75 | CACNA2D1 (0.36) | GBA1CACNA2D1CACNA1BCACNB1ARG1 | |
| SCHEMBL21947701 | 0.75 | GBA1 (0.47) | GBA1CACNA2D1CACNA1BCACNB1ARG1 | |
| SCHEMBL23520060 | 0.74 | GBA1 (0.50) | GBA1CACNA2D1CACNA1BCACNB1ARG1 | |
| SCHEMBL21946389 | 0.74 | GBA1 (0.50) | GBA1CACNA2D1CACNA1BCACNB1ARG1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022228547-A1 | PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-11-03 | — | — | WO | disclosed |