Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.31 |
| ▸ | KLK1 | P06870 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894427 | 1.00 | AOC3 (0.44) | AOC3MAOBJAK2ACHELMNA | |
| SCHEMBL28432378 | 0.88 | KLKB1 (0.34) | AOC3MAOBACHELMNACYP2C19 | |
| SCHEMBL28432376 | 0.88 | KLKB1 (0.34) | AOC3MAOBACHELMNACYP2C19 | |
| SCHEMBL28426244 | 0.86 | LMNA (0.37) | LMNACYP2C19MAPTGFERNPSR1 | |
| SCHEMBL28426245 | 0.86 | LMNA (0.37) | LMNACYP2C19MAPTGFERNPSR1 | |
| SCHEMBL22216397 | 0.85 | AOC3 (0.51) | AOC3MAOBJAK2ACHELMNA | |
| SCHEMBL22216190 | 0.85 | AOC3 (0.42) | AOC3MAOBACHELMNACYP2C19 | |
| SCHEMBL23907239 | 0.84 | AOC3 (0.36) | AOC3MAOBACHELMNACYP2C19 | |
| SCHEMBL22216189 | 0.82 | AOC3 (0.40) | AOC3MAOBACHELMNACYP2C19 | |
| SCHEMBL28429087 | 0.82 | LOXL2 (0.33) | AOC3MAOBACHE |
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-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 |
| CN-111434662-A | Haloallylamine compound and application thereof | 南京药捷安康生物科技有限公司 | 2020-07-21 | — | — | CN | disclosed |