Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.43 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.43 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.43 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL34472322 | 0.83 | PDE2A (0.44) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL18348347 | 0.82 | CES2 (0.50) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL29056485 | 0.82 | CES2 (0.50) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL20973150 | 0.82 | HDAC1 (0.45) | SRD5A2TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL28243558 | 0.80 | CES2 (0.58) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL19385678 | 0.78 | PLOD2 (0.45) | CES2CES1PTPN1PTGS1 | |
| SCHEMBL28402017 | 0.78 | CES2 (0.56) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL685624 | 0.78 | MAPT (0.52) | KIF11TSHRMEN1HPGDKMT2A | |
| SCHEMBL16650 | 0.76 | CES2 (0.42) | CES2CES1GSK3B | |
| SCHEMBL20973221 | 0.76 | CES2 (0.42) | CES2CES1SRD5A2GSK3BTSHR |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024349-A | 3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | claimed |
| CN-114920753-B | 6-fluoro-dihydropyran [2,3-c ] pyrazole derivative and synthetic method and application thereof | 华南理工大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-114920753-A | 6-fluoro-dihydropyrano [2,3-c ] pyrazole derivative and synthetic method and application thereof | 华南理工大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-113402477-B | Monofluoroolefin modified heteroatom cyclolactone or lactam derivative and synthetic method and application thereof | 华南理工大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-113024349-B | 3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113402477-A | Monofluoroolefin modified heteroatom cyclolactone or lactam derivative and synthetic method and application thereof | 华南理工大学 | 2021-09-17 | — | — | CN | disclosed |
| CN-113024349-A | 3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-111205202-A | Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof | 华南理工大学 | 2020-05-29 | — | — | CN | disclosed |
| US-20190144469-A1 | METHOD FOR PREPARING DIFLUOROALLYLBORONATE AND APPLICATION THEREOF | DALIAN UNIVERSITY OF TECHNOLOGY (CN) | 2019-05-16 | — | — | US | disclosed |
| US-9055749-B2 | Insecticidal arylpyrrolines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-06-16 | — | — | US | disclosed |
| US-20100249191-A1 | N-Methyl benzamide derivatives | BAYER CROPSCIENCE SA (FR) | 2010-09-30 | — | — | US | disclosed |
| US-20100179194-A1 | INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES | BAYER CORPSCIENCE AG (DE) | 2010-07-15 | — | — | US | disclosed |
| EP-2181100-A2 | INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES | Bayer CropScience AG (DE) | 2010-05-05 | — | — | EP | disclosed |
| CN-101652354-A | insecticidal aryl isoxazoline derivatives | BAYER CROPSCIENCE AG DE | 2010-02-17 | — | — | CN | disclosed |
| WO-2009112275-A1 | PESTICIDAL CONDENSED - RING ARYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-09-17 | — | — | WO | disclosed |
| CN-101522672-A | Insecticidal isoxazolines | BAYER CROPSCIENCE AG (DE) | 2009-09-02 | — | — | CN | disclosed |
| WO-2009097992-A1 | INSECTICIDAL ARYLPYRROLINES | BAYER CROPSCIENCE AG (DE) | 2009-08-13 | — | — | WO | disclosed |
| EP-2069338-A1 | INSECTICIDAL ISOXAZOLINES | Bayer CropScience AG (DE) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008122375-A2 | INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008019760-A1 | INSECTICIDAL ISOXAZOLINES | BAYER CROPSCIENCE AG (DE) | 2008-02-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100179194-A1 | INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES | CYP4X1, AADAC, CYP3A7 | CES2 340/4885CES1 285/4885SRD5A2 3212/4885 |
| US-20190144469-A1 | METHOD FOR PREPARING DIFLUOROALLYLBORONATE AND APPLICATION THEREOF | GABRA6, GABRP, GABBR2 | CES2 2928/4885CES1 3239/4885SRD5A2 1607/4885 |
| US-20100249191-A1 | N-Methyl benzamide derivatives | GNMT, SCN1A, INA | CES2 374/4885CES1 738/4885SRD5A2 3308/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.