Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 4/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | DCK | P27707 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL30661958 | 0.73 | KCNH2 (0.61) | KCNH2SYK | |
| SCHEMBL30514125 | 0.67 | HTR6 (0.30) | — | |
| SCHEMBL29091967 | 0.66 | PTGS2 (0.51) | KCNH2 | |
| SCHEMBL30661964 | 0.63 | KCNH2 (0.78) | KCNH2 | |
| SCHEMBL30661965 | 0.63 | KCNH2 (0.55) | KCNH2HRH4SYKHRH3 | |
| SCHEMBL14190734 | 0.62 | HRH3 (0.59) | HRH4CYP1A2CLK4HRH3CYP2C19 | |
| SCHEMBL29091969 | 0.62 | KDM4E (0.50) | ALDH1A1CYP1A2LMNACYP2C19GHSR | |
| SCHEMBL24478137 | 0.61 | BRD4 (0.41) | KCNH2HRH4USP2ALDH1A1CYP1A2 | |
| SCHEMBL8244028 | 0.60 | HRH3 (0.36) | KCNH2HRH4HRH3KDM1ABRD4 | |
| SCHEMBL30514113 | 0.60 | PTPN11 (0.40) | KCNH2 |
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-116507611-A | Novel capsid assembly inhibitor | 佩勒梅德有限公司 | 2023-07-28 | — | — | CN | disclosed |