Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30836057 | 1.00 | CES2 (0.49) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| SCHEMBL11432112 | 0.93 | EPHX1 (0.52) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| SCHEMBL4750069 | 0.93 | CES2 (0.46) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| SCHEMBL10727655 | 0.92 | ALDH1A1 (0.43) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| SCHEMBL10583768 | 0.90 | CES2 (0.44) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10386368 | 0.89 | EPHX1 (0.44) | CES2PNMTTHRBALDH1A1SMN1; SMN2 | |
| SCHEMBL30836086 | 0.88 | CES2 (0.47) | CES2PNMTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL28452948 | 0.88 | CES2 (0.47) | CES2PNMTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL15018577 | 0.88 | CES2 (0.51) | CES2PNMTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL30368489 | 0.88 | CES2 (0.51) | CES2PNMTALDH1A1SMN1; SMN2MEN1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111592539-B | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2022-11-15 | — | — | CN | claimed |
| CN-111592539-A | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2020-08-28 | — | — | CN | claimed |
| CN-111592539-B | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2022-11-15 | — | — | CN | disclosed |
| CN-109651365-B | 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof | 贵州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-112574194-A | Synthesis and application of pyrimidinium salt compound | 东莞市东阳光农药研发有限公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-110317200-B | Pyrimidinium compounds and uses thereof | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-111592539-A | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2020-08-28 | — | — | CN | disclosed |
| CN-107266275-B | Compound containing monofluoromethyl, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2020-07-07 | — | — | CN | disclosed |
| CN-107531700-B | Mesoionic compounds | 日本化药株式会社 | 2020-03-03 | — | — | CN | disclosed |
| US-20200017490-A1 | Novel Mesoionic Insecticidal Compound | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2020-01-16 | — | — | US | disclosed |
| EP-3287457-B1 | MESOIONIC COMPOUND | NIPPON KAYAKU KK (JP) | 2019-09-18 | — | — | EP | disclosed |
| US-7115784-B2 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-10-03 | — | — | US | disclosed |
| US-20050215794-A1 | Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-09-29 | — | — | US | disclosed |
| US-6867298-B2 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2005-03-15 | — | — | US | disclosed |
| CN-1518534-A | Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation | 麻省理工学院 | 2004-08-04 | — | — | CN | disclosed |
| US-6759554-B2 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-07-06 | — | — | US | disclosed |
| EP-1390340-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2004-02-25 | — | — | EP | disclosed |
| US-20040019216-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-01-29 | — | — | US | disclosed |
| US-20030065187-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-04-03 | — | — | US | disclosed |
| WO-2002085838-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-10-31 | — | — | 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 (4 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-20050215794-A1 | Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds | CBR3, ADH5, IDH1 | CES2 230/4885PNMT 257/4885THRB 3763/4885 |
| US-20030065187-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | ADH5, CBR3, ALDH3A1 | CES2 190/4885PNMT 402/4885THRB 3667/4885 |
| US-20040019216-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | ADH5, CBR3, ALDH3A1 | CES2 190/4885PNMT 402/4885THRB 3667/4885 |
| US-20200017490-A1 | Novel Mesoionic Insecticidal Compound | DDT, ACHE, ME3 | CES2 884/4885PNMT 576/4885THRB 1942/4885 |
“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.