Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | SETD7 | Q8WTS6 | 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 | |
|---|---|---|---|---|
| SCHEMBL504079 | 0.96 | CES1 (0.40) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL29390452 | 0.96 | CES1 (0.40) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| Ammonia Solution, Strong SCHEMBL28819102 | 0.94 | CES1 (0.39) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| Hydrochloric Acid SCHEMBL28015311 | 0.92 | CES1 (0.38) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL26073062 | 0.89 | CES1 (0.35) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL29537848 | 0.89 | CES1 (0.35) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL15226317 | 0.86 | CES1 (0.33) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL16390503 | 0.86 | CES1 (0.33) | CES1MAOAMAOBCYP2A6 | |
| SCHEMBL29858826 | 0.84 | CES1 (0.34) | CES1MAOAMAOBCYP2A6SRD5A1 | |
| SCHEMBL27905624 | 0.83 | CES1 (0.32) | CES1PDPK1PARP1PARP10PARP11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114394960-A | Dibenzocyclooctyne-tetraethylene glycol-active ester compound, preparation method and application | 宜昌博仁凯润药业有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-114394960-A | Dibenzocyclooctyne-tetraethylene glycol-active ester compound, preparation method and application | 宜昌博仁凯润药业有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-112442181-B | Amphiphilic polymer with surface biological functionalization performed in modular mode | 深圳市第二人民医院 | 2021-07-23 | — | — | CN | disclosed |
| CN-112442181-A | Amphiphilic polymer with surface biological functionalization performed in modular mode | 深圳市第二人民医院 | 2021-03-05 | — | — | CN | disclosed |