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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.56 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.48 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.44 |
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.44 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.44 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL707808 | 0.98 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3ALKBH5 | |
| SCHEMBL719296 | 0.98 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3ALKBH5 | |
| SCHEMBL16766368 | 0.98 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3ALKBH5 | |
| SCHEMBL29691892 | 0.98 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3ALKBH5 | |
| SCHEMBL19364501 | 0.98 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3ALKBH5 | |
| Hydrochloric Acid SCHEMBL18063 | 0.93 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM3SIGMAR1 | |
| SCHEMBL12902953 | 0.91 | KMT2A (0.51) | CHRM2CHRM4CHRM5CHRM3SIGMAR1 | |
| SCHEMBL911191 | 0.91 | KMT2A (0.51) | CHRM2CHRM4CHRM5CHRM3SIGMAR1 | |
| SCHEMBL15425873 | 0.91 | KMT2A (0.51) | CHRM2CHRM4CHRM5CHRM3SIGMAR1 | |
| SCHEMBL6153627 | 0.91 | CHRM2 (0.56) | CHRM2CHRM4CHRM5CHRM3ALKBH5 |
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-10426766-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-10-01 | — | — | US | disclosed |
| EP-3037420-B1 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2018-09-12 | — | — | EP | disclosed |
| US-20180200246-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2018-07-19 | — | — | US | disclosed |
| US-9949963-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2018-04-24 | — | — | US | disclosed |
| US-20160287572-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-10-06 | — | — | US | disclosed |
| EP-2173746-B1 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2016-09-28 | — | — | EP | disclosed |
| EP-3037420-A1 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | Theravance Biopharma R&D IP, LLC (US) | 2016-06-29 | — | — | EP | disclosed |
| US-9290491-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-03-22 | — | — | US | disclosed |
| US-20150073014-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-03-12 | — | — | US | disclosed |
| US-8816091-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-08-26 | — | — | US | disclosed |
| US-20110184008-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE, INC. (US) | 2011-07-28 | — | — | US | disclosed |
| US-20110166355-A1 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-7943772-B2 | Crystalline forms of an 8-azabicyclo(3.2.1)octane compound | THERAVANCE, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-7932402-B2 | Process for preparing an intermediate to opioid receptor antagonists | THERAVANCE, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| EP-2173746-A2 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-04-14 | — | — | EP | disclosed |
| EP-2132204-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | Theravance, Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2009014610-A2 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| US-20090023934-A1 | Process for preparing an intermediate to opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-01-22 | — | — | US | disclosed |
| WO-2008106159-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE, INC. (US) | 2008-09-04 | — | — | WO | disclosed |
| US-20080207676-A1 | Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-28 | — | — | 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 (8 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-20110184008-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | CHRM2 412/4885CHRM4 562/4885CHRM5 98/4885 |
| US-20160287572-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | CHRM2 412/4885CHRM4 562/4885CHRM5 98/4885 |
| US-20180200246-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | CHRM2 412/4885CHRM4 562/4885CHRM5 98/4885 |
| US-10426766-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | OPRM1, SIGMAR1, OPRD1 | CHRM2 412/4885CHRM4 562/4885CHRM5 98/4885 |
| US-20080207676-A1 | Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound | OPRM1, SIGMAR1, OPRD1 | CHRM2 370/4885CHRM4 511/4885CHRM5 91/4885 |
| US-20090023934-A1 | Process for preparing an intermediate to opioid receptor antagonists | OPRD1, OPRM1, OPRK1 | CHRM2 571/4885CHRM4 430/4885CHRM5 223/4885 |
| US-20150073014-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | CHRM2 412/4885CHRM4 562/4885CHRM5 98/4885 |
| US-20110166355-A1 | PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | CHRM2 413/4885CHRM4 277/4885CHRM5 152/4885 |
“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.