Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL27267954 | 0.91 | CA1 (0.43) | NQO1CA1CA9MAPTKDM4E | |
| Toluene SCHEMBL28241419 | 0.86 | CA1 (0.37) | NQO1CA1CA9MAPTALDH1A1 | |
| SCHEMBL28166272 | 0.86 | NQO1 (0.37) | NQO1CA1CA9MAPTKDM4E | |
| SCHEMBL27585713 | 0.85 | CA1 (0.38) | NQO1CA1CA9MAPTALDH1A1 | |
| Tetrahydrofuran SCHEMBL28247949 | 0.85 | CA1 (0.38) | NQO1CA1CA9KIF11 | |
| Naphthoic Acid SCHEMBL27673025 | 0.81 | NR4A1 (0.46) | NQO1MAPTKDM4EALDH1A1 | |
| SCHEMBL27548639 | 0.80 | ALDH1A1 (0.39) | NQO1CA1CA9MAPTKDM4E | |
| SCHEMBL27369368 | 0.79 | CA1 (0.39) | NQO1CA1CA9MAPTKDM4E | |
| Butane SCHEMBL27510003 | 0.78 | HPRT1 (0.45) | NQO1MAPTALDH1A1CYP1A2LCK | |
| Alcohol SCHEMBL27596925 | 0.76 | ALDH1A1 (0.47) | NQO1MAPTKDM4EALDH1A1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104250272-B | A method of it is prepared using microreactor and arranges net class pharmaceutical intermediate | 上海方楠生物科技有限公司 | 2018-10-09 | — | — | CN | disclosed |