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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 3/20 | 0.49 |
| ▸ | ACE known ✓ | P12821 | 3/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | ITGB2 | P05107 | 4/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.47 |
| ▸ | ITGAL | P20701 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.44 |
| ▸ | FPR1 | P21462 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6551542 | 1.00 | OPRM1 (0.49) | OPRM1OPRL1KDM1AITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL6724022 | 0.92 | FPR2 (0.47) | OPRM1OPRL1KMT2AFPR2FPR1 | |
| Hydrochloric Acid SCHEMBL5199077 | 0.92 | FPR2 (0.47) | OPRM1OPRL1KMT2AFPR2FPR1 | |
| SCHEMBL6732723 | 0.91 | FPR2 (0.48) | OPRM1OPRL1KMT2AFPR2FPR1 | |
| SCHEMBL5858607 | 0.91 | FPR2 (0.48) | OPRM1OPRL1KMT2AFPR2FPR1 | |
| Hydrochloric Acid SCHEMBL6729815 | 0.87 | OPRL1 (0.64) | OPRM1OPRL1KDM1AITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL6729807 | 0.87 | OPRL1 (0.64) | OPRM1OPRL1KDM1AITGB2ICAM1 | |
| SCHEMBL6729772 | 0.86 | OPRL1 (0.65) | OPRM1OPRL1KDM1AITGB2ICAM1 | |
| SCHEMBL5163884 | 0.86 | OPRL1 (0.65) | OPRM1OPRL1KDM1AITGB2ICAM1 | |
| SCHEMBL6551984 | 0.86 | OPRL1 (0.65) | OPRM1OPRL1KDM1AITGB2ICAM1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385825-B1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-15 | — | — | EP | claimed |
| US-6998409-B2 | Substituted 2-pyridine cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2006-02-14 | — | — | US | claimed |
| US-20040147741-A1 | Substituted 2-pyridine cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2004-07-29 | — | — | US | claimed |
| EP-1863772-A1 | AMIDE DERIVATIVES AS PPAR ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1385825-B1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-15 | — | — | EP | disclosed |
| WO-2007028424-A1 | AMIDE DERIVATIVES AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-15 | — | — | WO | disclosed |
| US-6998409-B2 | Substituted 2-pyridine cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2006-02-14 | — | — | US | disclosed |
| US-20040229872-A1 | Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity | GRUENENTHAL GMBH (DE) | 2004-11-18 | — | — | US | disclosed |
| US-20040147741-A1 | Substituted 2-pyridine cyclohexane-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2004-07-29 | — | — | US | disclosed |
| EP-1385825-A1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090330-A1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | 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 (2 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-20040147741-A1 | Substituted 2-pyridine cyclohexane-1,4-diamine compounds | P2RX4, QDPR, DPYD | OPRM1 56/4885ACE 82/4885OPRL1 35/4885 |
| US-20040229872-A1 | Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity | ARG1, CD2, PDCD1 | OPRM1 250/4885ACE 258/4885OPRL1 41/4885 |
“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.