Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 6/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22216190 | 0.90 | AOC3 (0.42) | AOC3MAOBACHELMNAMAPT | |
| SCHEMBL22216189 | 0.87 | AOC3 (0.40) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL22216335 | 0.86 | KLKB1 (0.37) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL28894423 | 0.85 | AOC3 (0.44) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL28894427 | 0.85 | AOC3 (0.44) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL23907200 | 0.85 | AOC3 (0.38) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL23907203 | 0.85 | AOC3 (0.38) | AOC3MAOBKLKB1ACHELMNA | |
| SCHEMBL22216339 | 0.84 | KLKB1 (0.41) | KLKB1LMNAMAPTCYP2C19GFER | |
| SCHEMBL23920660 | 0.82 | L3MBTL1 (0.38) | AOC3MAOBKLKB1ACHEL3MBTL1 | |
| SCHEMBL28435846 | 0.81 | AOC3 (0.38) | AOC3MAOBKLKB1ACHELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111434662-B | Haloallylamine compound and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-01-10 | — | — | CN | disclosed |
| EP-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020143763-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | 南京药捷安康生物科技有限公司 | 2020-07-16 | — | — | WO | disclosed |