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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 9/20 | 0.72 |
| ▸ | PTGS1 known ✓ | P23219 | 9/20 | 0.60 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.55 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.55 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.55 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.50 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.60 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.60 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.60 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
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 SCHEMBL28125973 | 1.00 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL68873 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL10411845 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| Benzene SCHEMBL28145708 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL66842 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL23581099 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| Iodide SCHEMBL3868944 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL3418 | 0.97 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL11783168 | 0.95 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL9569033 | 0.95 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 |
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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2948379-A1 | READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER | HQ Specialty Pharma Corporation (US) | 2015-12-02 | — | — | EP | claimed |
| US-9084763-B2 | Methods for treating tachycardia and/or controlling heart rate while minimizing and/or controlling hypotension | BAXTER INTERNATIONAL INC. (US) | 2015-07-21 | — | — | US | claimed |
| EP-2667867-B1 | METHODS OF TREATING TACHYCARDIA AND/OR CONTROLLING HEART RATE WHILE MINIMIZING AND/OR CONTROLLING HYPOTENSION | BAXTER INT (US) | 2015-05-27 | — | — | EP | claimed |
| WO-2014143845-A1 | READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER | Welgrace Research Group (US) | 2014-09-18 | — | — | WO | claimed |
| EP-2667866-A1 | USE OF (S) - ESMOLOL FOR CONTROLLING VENOUS IRRITATION ASSOCIATED WITH THE TREATMENT OF A CARDIAC DISORDER | Baxter International Inc (US) | 2013-12-04 | — | — | EP | claimed |
| EP-2668152-A2 | ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS | Eli Lilly and Company (US) | 2013-12-04 | — | — | EP | claimed |
| EP-2667867-A1 | METHODS OF TREATING TACHYCARDIA AND/OR CONTROLLING HEART RATE WHILE MINIMIZING AND/OR CONTROLLING HYPOTENSION | Baxter International Inc (US) | 2013-12-04 | — | — | EP | claimed |
| EP-2480204-B1 | TOPICAL FORMULATION FOR DIABETIC FOOT ULCERS | VLIFE SCIENCES TECHNOLOGIES PVT LTD (IN) | 2013-11-06 | — | — | EP | claimed |
| WO-2012103305-A1 | USE OF (S) - ESMOLOL FOR CONTROLLING VENOUS IRRITATION ASSOCIATED WITH THE TREATMENT OF A CARDIAC DISORDER | BAXTER INTERNATIONAL INC. (US) | 2012-08-02 | — | — | WO | claimed |
| WO-2012103314-A1 | METHODS OF TREATING TACHYCARDIA AND/OR CONTROLLING HEART RATE WHILE MINIMIZING AND/OR CONTROLLING HYPOTENSION | BAXTER INTERNATIONAL INC. (US) | 2012-08-02 | — | — | WO | claimed |
| WO-2012102875-A2 | ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS | ELI LILLY AND COMPANY (US) | 2012-08-02 | — | — | WO | claimed |
| EP-1368019-B2 | ESMOLOL FORMULATION | BAXTER INT (US) | 2010-06-02 | — | — | EP | claimed |
| EP-1738756-A2 | Esmolol formulation | BAXTER INTERNATIONAL INC. (US) | 2007-01-03 | — | — | EP | claimed |
| EP-1368019-B1 | ESMOLOL FORMULATION | BAXTER INT (US) | 2006-10-04 | — | — | EP | claimed |
| EP-1368019-A1 | ESMOLOL FORMULATION | BAXTER INTERNATIONAL INC. (US) | 2003-12-10 | — | — | EP | claimed |
| US-20020147239-A1 | Esmolol formulation | BAXTER INTERNATIONAL INC. (US) | 2002-10-10 | — | — | US | claimed |
| WO-2002076446-A1 | ESMOLOL FORMULATION | BAXTER INTERNATIONAL INC. (US) | 2002-10-03 | — | — | WO | claimed |
| US-6310094-B1 | INJECTABLE AQUEOUS PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CARDIAC CONDITIONS, HAVING PH BETWEEN 3.5 AND 6.5, COMPRISING ESMOLOL HYDROCHLORIDE, BUFFERING AGENT AND OSMOTIC-ADJUSTING AGENT | BAXTER INTERNATIONAL INC. | 2001-10-30 | — | — | US | claimed |
| EP-0507001-B1 | A process for the preparation of nepinalone | BIOINDUSTRIA SPA (IT) | 1997-09-17 | — | — | EP | claimed |
| EP-0507001-A1 | A process for the preparation of nepinalone | BIOINDUSTRIA FARMACEUTICI S.p.A. (IT) | 1992-10-07 | — | — | EP | claimed |