Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28014300 | 0.85 | NQO1 (0.38) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL29798977 | 0.83 | ALDH1A1 (0.44) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL27340861 | 0.83 | ALDH1A1 (0.44) | NQO1CDK4CCND1ALDH1A1MAPT | |
| Furan SCHEMBL28136174 | 0.78 | CYP1A2 (0.39) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL28758750 | 0.78 | CA1 (0.38) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL28014307 | 0.73 | ADRA2A (0.35) | ALDH1A1CYP1A2 | |
| SCHEMBL28161023 | 0.71 | HRH3 (0.37) | ALDH1A1MAPTNPSR1CYP1A2LCK | |
| SCHEMBL28191384 | 0.70 | KIF11 (0.43) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL27409389 | 0.69 | NQO1 (0.43) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL28111343 | 0.69 | KIF11 (0.42) | NQO1CDK4CCND1ALDH1A1MAPT |
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-104508001-B | Process for producing polyester and polyurethane | 基因组股份公司 | 2017-07-07 | — | — | CN | claimed |
| CN-104640830-A | Method for producing 1, 4-butanediol | MITSUBISHI CHEM CORP | 2015-05-20 | — | — | CN | disclosed |
| CN-104508001-A | Process for producing polyester and polyurethane | MITSUBISHI CHEM CORP | 2015-04-08 | — | — | CN | disclosed |