Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL695647 | 0.85 | CES2 (0.48) | CES2ALDH1A1CFTRCYP1A2CYP2C19 | |
| SCHEMBL31717592 | 0.81 | CES2 (0.46) | CES2MAPTALDH1A1CFTRKDM4E | |
| SCHEMBL22180852 | 0.81 | CES2 (0.46) | CES2RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL30518051 | 0.79 | CES2 (0.72) | CES2KDRFLT1FLT4ALDH1A1 | |
| SCHEMBL9230110 | 0.79 | CES2 (0.47) | CES2KDRRAB9AFLT1FLT4 | |
| SCHEMBL25387702 | 0.79 | CES2 (0.47) | CES2KDRFLT1FLT4ALDH1A1 | |
| SCHEMBL679186 | 0.79 | CES2 (0.47) | CES2ALDH1A1ALOX15TMPRSS4 | |
| SCHEMBL937022 | 0.79 | CES2 (0.72) | CES2KDRFLT1FLT4ALDH1A1 | |
| SCHEMBL110827 | 0.79 | RAB9A (0.49) | CES2KDRRAB9AFLT1FLT4 | |
| SCHEMBL3143470 | 0.78 | CES2 (0.46) | CES2KDRRAB9AFLT1FLT4 |
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-111348996-B | 2-benzoyl malonate compound, and preparation method and application thereof | 江苏联化科技有限公司 | 2023-09-08 | — | — | CN | disclosed |
| WO-2020132792-A1 | 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏联化科技有限公司 | 2020-07-02 | — | — | WO | disclosed |
| WO-2020132792-A1 | 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏联化科技有限公司 | 2020-07-02 | — | — | WO | disclosed |
| CN-111348996-A | 2-benzoyl malonate compound, preparation method and application thereof | 江苏联化科技有限公司 | 2020-06-30 | — | — | CN | disclosed |