Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 7/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26647694 | 0.71 | JAK2 (0.52) | SIGMAR1KCNH2MALT1LSSSLC6A2 | |
| SCHEMBL26647690 | 0.71 | JAK2 (0.52) | SIGMAR1KCNH2MALT1LSSSLC6A2 | |
| SCHEMBL13935740 | 0.71 | SIGMAR1 (0.42) | SIGMAR1LSSNOS1NOS2 | |
| SCHEMBL24721280 | 0.71 | SIGMAR1 (0.42) | SIGMAR1LSSNOS1NOS2 | |
| SCHEMBL690716 | 0.71 | SIGMAR1 (0.42) | SIGMAR1LSSNOS1NOS2 | |
| SCHEMBL31359742 | 0.68 | SIGMAR1 (0.40) | SIGMAR1KCNH2KAT2BLSS | |
| SCHEMBL29189103 | 0.68 | SIGMAR1 (0.40) | SIGMAR1KCNH2KAT2BLSS | |
| SCHEMBL24840031 | 0.68 | SIGMAR1 (0.40) | SIGMAR1KCNH2KAT2BLSS | |
| SCHEMBL30214759 | 0.67 | SIGMAR1 (0.39) | SIGMAR1LSSNOS1NOS2 | |
| SCHEMBL29276119 | 0.67 | SIGMAR1 (0.39) | SIGMAR1LSSNOS1NOS2 |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |