Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.33 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825970 | 0.81 | — | — | |
| SCHEMBL6822953 | 0.81 | — | — | |
| SCHEMBL11042895 | 0.81 | EPHX2 (0.40) | EPHX2DPP4 | |
| SCHEMBL20555868 | 0.76 | EPHX2 (0.32) | EPHX2CYP2C19 | |
| SCHEMBL6826810 | 0.76 | EPHX2 (0.32) | EPHX2CYP2C19 | |
| SCHEMBL22977900 | 0.76 | EPHX2 (0.32) | EPHX2CYP2C19 | |
| SCHEMBL2694749 | 0.75 | — | — | |
| SCHEMBL25198840 | 0.75 | SMYD3 (0.33) | — | |
| SCHEMBL16293737 | 0.75 | SMYD3 (0.33) | — | |
| SCHEMBL25202301 | 0.75 | SMYD3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7897803-B2 | Cis-alkoxy-substituted spirocyclic 1H-pyrrolidine-2,4-dione derivatives serving as pesticides | BAYER CROPSCIENCE AG (DE) | 2011-03-01 | — | — | US | disclosed |
| US-7803967-B2 | 4-alkoxy-cyclohexane-1-amino-carboxylic esters and processes for their preparation | BAYER CROPSCIENCE AG (DE) | 2010-09-28 | — | — | US | disclosed |
| US-20100056598-A1 | CIS-ALKOXY-SUBSTITUTED SPIROCYCLIC 1H-PYRROLIDINE-2,4-DIONE DERIVATIVES SERVING AS PESTICIDES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-03-04 | — | — | US | disclosed |
| US-7638547-B2 | Cis-alkoxy-substituted spirocyclic 1H-pyrrolidine-2,4-dione derivatives serving as pesticides | BAYER CROPSCIENCE AG (DE) | 2009-12-29 | — | — | US | disclosed |
| US-20090156402-A1 | 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION | BAYER CROPSCIENCE AG (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7511153-B2 | 4-alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof | BAYER CROPSCIENCE AG (DE) | 2009-03-31 | — | — | US | disclosed |
| US-20070043219-A1 | 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2007-02-22 | — | — | US | disclosed |
| US-20070032539-A1 | Cis-alkoxy-substituted spirocyclic 1-h-pyrrolidine-2,4-dione derivatives serving as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2007-02-08 | — | — | US | disclosed |
| US-7148377-B2 | 4-Alkoxy cyclohexane-1-amino-carboxylic acid esters and method for the production thereof | BAYER CROPSCIENCE AG (DE) | 2006-12-12 | — | — | US | disclosed |
| US-20040039223-A1 | 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2004-02-26 | — | — | US | 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 (5 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-20100056598-A1 | CIS-ALKOXY-SUBSTITUTED SPIROCYCLIC 1H-PYRROLIDINE-2,4-DIONE DERIVATIVES SERVING AS PESTICIDES | DDT, CYP4X1, CDY1; CDY1B | DPP4 159/4885MMP1 3510/4885EPHX2 149/4885 |
| US-20070032539-A1 | Cis-alkoxy-substituted spirocyclic 1-h-pyrrolidine-2,4-dione derivatives serving as pesticides | DDT, CYP4X1, PDHX | DPP4 329/4885MMP1 3203/4885EPHX2 99/4885 |
| US-20070043219-A1 | 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof | ALDH7A1, DDC, ABAT | DPP4 162/4885MMP1 3348/4885EPHX2 268/4885 |
| US-20090156402-A1 | 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION | DDT, CYP4B1, ALDH7A1 | DPP4 77/4885MMP1 3086/4885EPHX2 177/4885 |
| US-20040039223-A1 | 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof | ALDH7A1, CYP51A1, ABAT | DPP4 160/4885MMP1 3074/4885EPHX2 354/4885 |
“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.