Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24480843 | 0.86 | GBA1 (0.43) | GBA1TACR1CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL29317185 | 0.86 | ACHE (0.44) | GBA1CACNA2D1CACNA1BCACNB1GNAO1 | |
| SCHEMBL24480701 | 0.82 | GBA1 (0.40) | GBA1CACNA2D1CACNA1BCACNB1GNAO1 | |
| SCHEMBL24480419 | 0.81 | TACR1 (0.32) | GBA1HTR6TACR1 | |
| SCHEMBL2570307 | 0.79 | GBA1 (0.47) | GBA1CACNA2D1CACNA1BCACNB1SMN1; SMN2 | |
| SCHEMBL26507722 | 0.79 | CHRM5 (0.46) | GBA1HTR6SMN1; SMN2CHRM5ADRA2C | |
| SCHEMBL2547787 | 0.78 | CHRM5 (0.39) | GBA1HTR6CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL24480971 | 0.77 | CHRM5 (0.38) | GBA1HTR6CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL14422030 | 0.77 | GBA1 (0.48) | GBA1CACNA2D1CACNA1BCACNB1SMN1; SMN2 | |
| SCHEMBL25856203 | 0.77 | HTR6 (0.38) | GBA1HTR6HPGDKMT2ASMN1; SMN2 |
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-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |