Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30514113 | 0.81 | PTPN11 (0.40) | PTGS2PTGS1EPHB4KCNH2PTPN11 | |
| SCHEMBL29091969 | 0.79 | KDM4E (0.50) | PTGS2PTGS1 | |
| SCHEMBL4807071 | 0.72 | DPP4 (0.45) | PTGS2 | |
| SCHEMBL8055957 | 0.70 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL25187425 | 0.69 | KCNN3 (0.56) | — | |
| SCHEMBL30421417 | 0.69 | KCNN3 (0.56) | — | |
| SCHEMBL30661960 | 0.69 | KCNH2 (0.71) | PTGS2PTGS1KCNH2 | |
| SCHEMBL8055954 | 0.67 | PTGS2 (0.64) | PTGS2PTGS1EPHB4 | |
| SCHEMBL16540301 | 0.67 | LMNA (0.36) | KCNH2 | |
| SCHEMBL309886 | 0.67 | PTGS2 (0.57) | PTGS2PTGS1EPHB4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116507611-A | Novel capsid assembly inhibitor | 佩勒梅德有限公司 | 2023-07-28 | — | — | CN | claimed |
| CN-116507611-A | Novel capsid assembly inhibitor | 佩勒梅德有限公司 | 2023-07-28 | — | — | CN | disclosed |