Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494595 | 0.85 | CES2 (0.42) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL31394680 | 0.83 | GPR17 (0.39) | CYP1A2ALBKDM4EASPHKDM8 | |
| SCHEMBL31394685 | 0.83 | GPR17 (0.39) | CYP1A2ALBKDM4EASPHKDM8 | |
| SCHEMBL2895115 | 0.81 | CES2 (0.45) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL2655336 | 0.81 | CES2 (0.45) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL26363 | 0.80 | CES2 (0.41) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL27744 | 0.79 | CES2 (0.44) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| Benzene SCHEMBL28280478 | 0.79 | CES2 (0.44) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL8729538 | 0.79 | CES2 (0.44) | CES2CES1KDM4ETSHRCASP1 | |
| SCHEMBL10676132 | 0.77 | ALB (0.55) | CES2CES1ALBBCHEKDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110790690-A | Synthetic method of 3, 4-difluoro-2- ((phenylthio) methyl) benzoic acid | 湖南师范大学 | 2020-02-14 | — | — | CN | claimed |
| CN-115974834-B | Method for preparing thia compound by continuous reaction | 北京理工大学 | 2024-10-18 | — | — | CN | disclosed |
| CN-114907365-B | Influenza virus inhibitor and application thereof | 扬子江药业集团有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-117120441-A | Influenza virus inhibitor and application thereof | 扬子江药业集团有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-115974834-A | A method for preparing thiazepine compound by continuous reaction | 北京理工大学 | 2023-04-18 | — | — | CN | disclosed |
| WO-2022171198-A1 | INFLUENZA VIRUS INHIBITOR AND USE THEREOF | 扬子江药业集团有限公司 | 2022-08-18 | — | — | WO | disclosed |
| CN-114907365-A | Influenza virus inhibitor and application thereof | 扬子江药业集团有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-111057074-B | Inhibitors of influenza virus replication and uses thereof | 广东东阳光药业有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-110790690-A | Synthetic method of 3, 4-difluoro-2- ((phenylthio) methyl) benzoic acid | 湖南师范大学 | 2020-02-14 | — | — | CN | disclosed |
| CN-110790690-A | Synthetic method of 3, 4-difluoro-2- ((phenylthio) methyl) benzoic acid | 湖南师范大学 | 2020-02-14 | — | — | CN | disclosed |