Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 9/20 | 1.00 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11360607 | 0.86 | SIGMAR1 (0.85) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL11193326 | 0.86 | CYP2A13 (0.75) | CYP2A13KDM4EALDH1A1HTTGAA | |
| SCHEMBL4105461 | 0.86 | CYP2A13 (1.00) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL18190383 | 0.83 | CYP2A13 (0.71) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL23851311 | 0.82 | SIGMAR1 (0.72) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL9417737 | 0.82 | SIGMAR1 (0.72) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL4105446 | 0.82 | KCNH2 (0.74) | CYP2A13SIGMAR1MGLL | |
| SCHEMBL3738488 | 0.81 | CYP2A13 (0.69) | CYP2A13KDM4EALDH1A1HTTGAA | |
| SCHEMBL3129648 | 0.81 | CYP2A13 (0.68) | CYP2A13SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL3210628 | 0.81 | ALDH1A1 (0.73) | CYP2A13SIGMAR1KDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-8598165-B2 | Morpholines as selective inhibitors of cytochrome P450 2A13 | UNIVERSITY OF KANSAS (US) | 2013-12-03 | — | — | US | claimed |
| US-20090137592-A1 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-05-28 | — | — | US | claimed |
| CN-105814012-B | The preparation method of two alpha substituted benzylamines, the particularly dialkyl benzylamine of halo of halo | 拜耳作物科学股份公司 | 2018-01-26 | — | — | CN | disclosed |
| EP-3080070-B1 | METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENETED DIALKYLBENZYLAMINES | BAYER CROPSCIENCE AG (DE) | 2017-11-01 | — | — | EP | disclosed |
| US-9670135-B2 | Preparation of halogenated di-substituted benzylamines, particularly halogenated dialkylbenzylamines | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-06-06 | — | — | US | disclosed |
| US-20160304435-A1 | PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, PARTICULARLY HALOGENATED DIALKYLBENZYLAMINES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-10-20 | — | — | US | disclosed |
| EP-3080070-A1 | METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENATED DIALKYLBENZYLAMINES | Bayer CropScience Aktiengesellschaft (DE) | 2016-10-19 | — | — | EP | disclosed |
| CN-105814012-A | Method for the preparation of halogenated di-substituted benzylamines, in particular halogenated dialkylbenzylamines | 拜耳作物科学股份公司 | 2016-07-27 | — | — | CN | disclosed |
| WO-2015086490-A1 | METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENATED DIALKYLBENZYLAMINES | BAYER CROPSCIENCE AG (DE) | 2015-06-18 | — | — | WO | disclosed |
| US-8962624-B2 | Morpholines as selective inhibitors of cytochrome P450 2A13 | UNIVERSITY OF KANSAS (US) | 2015-02-24 | — | — | US | disclosed |
| US-8962624-B2 | Morpholines as selective inhibitors of cytochrome P450 2A13 | UNIVERSITY OF KANSAS (US) | 2015-02-24 | — | — | US | disclosed |
| US-20100113778-A1 | PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2010-05-06 | — | — | US | disclosed |
| EP-2134673-A1 | IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2009-12-23 | — | — | EP | disclosed |
| WO-2009070579-A2 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | UNIVERSITY OF KANSAS (US) | 2009-06-04 | — | — | WO | disclosed |
| US-20090137592-A1 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-05-28 | — | — | US | disclosed |
| US-20090137592-A1 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-05-28 | — | — | US | disclosed |
| US-20090137592-A1 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-05-28 | — | — | US | disclosed |
| WO-2008125592-A1 | IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008125592-A1 | IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2008-10-23 | — | — | WO | disclosed |
| WO-2005095343-A1 | DPP-IV INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2005-10-13 | — | — | 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-20100113778-A1 | PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION | CYP4F12, GRHPR, CYP4F2 | CYP2A13 113/4885SIGMAR1 3473/4885KDM4E 196/4885 |
| US-20090137592-A1 | MORPHOLINES AS SELECTIVE INHIBITORS OF CYTOCHROME P450 2A13 | CYP1A2, CYP2D6, CYP1A1 | CYP2A13 6/4885SIGMAR1 610/4885KDM4E 2221/4885 |
| US-20160304435-A1 | PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, PARTICULARLY HALOGENATED DIALKYLBENZYLAMINES | DEK, DRD4, DCK | CYP2A13 1398/4885SIGMAR1 1233/4885KDM4E 949/4885 |
“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.