Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.45 |
| ▸ | CHRNG | P07510 | 1/20 | 0.45 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL111125 | 0.86 | ACHE (0.58) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL29791495 | 0.86 | ACHE (0.58) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL9315494 | 0.85 | PARP1 (0.55) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL28507305 | 0.83 | PARP1 (0.53) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL29035948 | 0.83 | PARP1 (0.40) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL31332687 | 0.82 | PARP1 (0.49) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL4741237 | 0.81 | PARP1 (0.55) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL28632055 | 0.79 | PARP1 (0.53) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL5925977 | 0.78 | PARP1 (0.57) | PARP1ALDH1A1GAAMAPTHTT | |
| SCHEMBL7637167 | 0.77 | PARP1 (0.55) | PARP1ALDH1A1GAAMAPTHTT |
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-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | claimed |
| CN-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | disclosed |