Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA4 | P22459 | 2/20 | 0.45 |
| ▸ | KCNA1 | Q09470 | 2/20 | 0.45 |
| ▸ | KCNAB1 | Q14722 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL687804 | 0.75 | KCNA4 (0.45) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL9452643 | 0.74 | KCNA4 (0.43) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL15642971 | 0.73 | KCNA4 (0.44) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL97282 | 0.70 | KCNA4 (0.56) | KCNA4KCNA1KCNAB1 | |
| Cyclohexane SCHEMBL28752636 | 0.67 | KCNA4 (0.52) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL27968826 | 0.62 | — | — | |
| SCHEMBL10447506 | 0.62 | KCNA4 (1.00) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL2465011 | 0.60 | KCNA4 (0.40) | KCNA4KCNA1KCNAB1 | |
| Dioxane SCHEMBL5805799 | 0.60 | CA5A (0.57) | — | |
| Dioxane SCHEMBL27608979 | 0.60 | TTR (0.43) | — |
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-114213254-B | Beta-nitroketone and preparation method and application method thereof | 北京师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-114213254-A | Beta-nitroketone, and preparation method and application method thereof | 北京师范大学 | 2022-03-22 | — | — | CN | disclosed |