Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9439081 | 0.83 | ALDH1A1 (0.52) | AKT1ALDH1A1TSHRHTTCYP1A2 | |
| SCHEMBL1123626 | 0.80 | CES1 (0.46) | CES1AKT1ALDH1A1TSHRHTT | |
| SCHEMBL1721043 | 0.78 | CES1 (0.52) | CES1AKT1ALDH1A1TSHRCES2 | |
| SCHEMBL9091938 | 0.75 | CES1 (0.48) | CES1AKT1ALDH1A1TSHRCES2 | |
| SCHEMBL15848172 | 0.75 | ALDH1A1 (0.41) | CES1AKT1ALDH1A1TSHRHTT | |
| SCHEMBL1426575 | 0.74 | CES1 (0.49) | CES1AKT1ALDH1A1TSHRHTT | |
| SCHEMBL11601799 | 0.74 | CES1 (0.62) | CES1AKT1ALDH1A1TSHRHTT | |
| SCHEMBL197860 | 0.73 | ALDH1A1 (0.56) | CES1AKT1ALDH1A1TSHRHTT | |
| SCHEMBL15519395 | 0.73 | CES1 (0.56) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL1666976 | 0.73 | CES1 (0.61) | CES1ALDH1A1TSHRCES2DAO |
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-113024423-A | Beta-fluoro, beta' -bissulfonylimide substituted ketone compound and preparation method and application thereof | 山东领海生物科技有限公司 | 2021-06-25 | — | — | CN | disclosed |