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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.63 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.42 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.42 |
| ▸ | BCHE known ✓ | P06276 | 2/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 SCHEMBL732028 | 1.00 | SIGMAR1 (0.63) | SIGMAR1NPC1RAB9ALMNAADRB2 | |
| Hydrochloric Acid SCHEMBL3625561 | 1.00 | SIGMAR1 (0.63) | SIGMAR1NPC1RAB9ALMNAADRB2 | |
| SCHEMBL3628122 | 0.99 | SIGMAR1 (0.65) | SIGMAR1NPC1RAB9ALMNAADRB2 | |
| Hydrochloric Acid SCHEMBL4013287 | 0.88 | SIGMAR1 (0.58) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| Hydrochloric Acid SCHEMBL4013289 | 0.88 | SIGMAR1 (0.58) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| SCHEMBL4613121 | 0.87 | SIGMAR1 (0.60) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| Hydrochloric Acid SCHEMBL3627136 | 0.87 | SIGMAR1 (0.64) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| SCHEMBL4013293 | 0.87 | SIGMAR1 (0.60) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| Hydrochloric Acid SCHEMBL6046375 | 0.87 | SIGMAR1 (0.64) | SIGMAR1NPC1RAB9ALMNASLC2A1 | |
| Hydrochloric Acid SCHEMBL3915133 | 0.86 | SIGMAR1 (0.63) | SIGMAR1NPC1RAB9ALMNASLC2A1 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210024493-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2021-01-28 | — | — | US | disclosed |
| US-10836744-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2020-11-17 | — | — | US | disclosed |
| US-20200165223-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2020-05-28 | — | — | US | disclosed |
| US-10590107-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2020-03-17 | — | — | US | disclosed |
| US-20190300504-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-10-03 | — | — | US | disclosed |
| US-10358433-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2019-07-23 | — | — | US | disclosed |
| US-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-02-14 | — | — | US | disclosed |
| EP-3210981-B1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE RESPIRATORY CO LLC (US) | 2019-01-02 | — | — | EP | disclosed |
| US-10138220-B1 | Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2018-11-27 | — | — | US | disclosed |
| US-9975875-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2018-05-22 | — | — | US | disclosed |
| US-20150274697-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2015-10-01 | — | — | US | disclosed |
| US-9000173-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2015-04-07 | — | — | US | disclosed |
| US-20140323733-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2014-10-30 | — | — | US | disclosed |
| US-8816088-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130331364-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2013-12-12 | — | — | US | disclosed |
| US-8551978-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| EP-2599778-A1 | Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity | Theravance Inc (US) | 2013-06-05 | — | — | EP | disclosed |
| US-20130137665-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2013-05-30 | — | — | US | disclosed |
| US-8138345-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-10-28 | — | — | 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 (13 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-20190300504-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | SIGMAR1 116/4885ADRB2 1/4885ADRB3 8/4885 |
| US-10138220-B1 | Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | SIGMAR1 172/4885ADRB2 1/4885ADRB3 6/4885 |
| US-10836744-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | SIGMAR1 142/4885ADRB2 1/4885ADRB3 7/4885 |
| US-20130331364-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | SIGMAR1 239/4885ADRB2 1/4885ADRB3 9/4885 |
| US-20210024493-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | SIGMAR1 148/4885ADRB2 1/4885ADRB3 8/4885 |
| US-10590107-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2B | SIGMAR1 116/4885ADRB2 1/4885ADRB3 8/4885 |
| US-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | SIGMAR1 157/4885ADRB2 1/4885ADRB3 7/4885 |
| US-20140323733-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | SIGMAR1 239/4885ADRB2 1/4885ADRB3 9/4885 |
| US-20200165223-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | SIGMAR1 116/4885ADRB2 1/4885ADRB3 8/4885 |
| US-10358433-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | SIGMAR1 161/4885ADRB2 1/4885ADRB3 7/4885 |
| US-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | SIGMAR1 239/4885ADRB2 1/4885ADRB3 9/4885 |
| US-20130137665-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | SIGMAR1 239/4885ADRB2 1/4885ADRB3 9/4885 |
| US-20150274697-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | SIGMAR1 239/4885ADRB2 1/4885ADRB3 9/4885 |
“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.