Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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) | CES2CFTRALDH1A1HPGDKDM4E | |
| SCHEMBL31717592 | 0.81 | CES2 (0.46) | CES2CFTRTRPV1ALDH1A1HPGD | |
| SCHEMBL22163787 | 0.81 | CES2 (0.46) | CES2CFTRTRPV1ALDH1A1HPGD | |
| SCHEMBL2427821 | 0.81 | CFTR (0.55) | CES2CFTRALDH1A1HPGDKDM4E | |
| SCHEMBL31138870 | 0.79 | KIF11 (0.51) | CES2KIF11AKR1C3AKR1C2MAPT | |
| SCHEMBL2074860 | 0.79 | KMT2A (0.49) | CES2KIF11KMT2AATMTMPRSS4 | |
| SCHEMBL31252817 | 0.79 | ESRRG (0.48) | CES2KIF11ALDH1A1HPGDKDM4E | |
| SCHEMBL30133947 | 0.79 | KMT2A (0.49) | CES2KIF11KMT2AATMTMPRSS4 | |
| SCHEMBL30481870 | 0.79 | CES2 (0.72) | CES2CFTRALDH1A1HPGDKDM4E | |
| SCHEMBL1996550 | 0.79 | CES2 (0.72) | CES2CFTRALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |