Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.66 |
| ▸ | CES1 | P23141 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | KMO | O15229 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30512072 | 0.98 | CES2 (0.68) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL312393 | 0.98 | CES2 (0.68) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL1986403 | 0.86 | CES2 (0.70) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL29703169 | 0.83 | CES2 (0.66) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL2014658 | 0.83 | TSHR (0.67) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL28415551 | 0.83 | CES2 (0.66) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL3910668 | 0.83 | ALDH1A1 (0.67) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL73675 | 0.83 | CES2 (0.66) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL602616 | 0.83 | CES2 (0.66) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL2760417 | 0.83 | CES2 (0.66) | CES2CES1TP53ALDH1A1TSHR |
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-106542996-A | A kind of synthetic method of 2 hydroxyl, 3 nitro-acetophenone | 昆山力田医化科技有限公司 | 2017-03-29 | — | — | CN | claimed |
| CN-106542996-B | A kind of synthetic method of 2- hydroxy-3-nitroacetophenone | 昆山力田医化科技有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-106542996-A | A kind of synthetic method of 2 hydroxyl, 3 nitro-acetophenone | 昆山力田医化科技有限公司 | 2017-03-29 | — | — | CN | disclosed |