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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 4/20 | 0.65 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.65 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.65 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.65 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.62 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.60 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.60 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CNR1 | P21554 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL4894998 | 0.99 | ADRB2 (0.67) | ADRB2ADRB1TDP1LMNAPMP22 | |
| SCHEMBL11037618 | 0.85 | ADRB2 (0.62) | ADRB2ADRB1TDP1LMNAPMP22 | |
| Hydrochloric Acid SCHEMBL1269430 | 0.85 | ADRB2 (0.77) | ADRB2ADRB1TDP1LMNAPMP22 | |
| Hydrochloric Acid SCHEMBL11205198 | 0.84 | TDP1 (0.59) | ADRB2ADRB1TDP1LMNAPMP22 | |
| Hydrochloric Acid SCHEMBL6016823 | 0.84 | ADRB2 (0.76) | ADRB2ADRB1TDP1LMNAPMP22 | |
| SCHEMBL9354060 | 0.83 | ADRB2 (0.79) | ADRB2ADRB1TDP1LMNAPMP22 | |
| SCHEMBL10072155 | 0.83 | ADRB2 (0.78) | ADRB2ADRB1TDP1LMNAPMP22 | |
| SCHEMBL6674480 | 0.83 | ADRB2 (0.78) | ADRB2ADRB1TDP1LMNAPMP22 | |
| SCHEMBL9628892 | 0.83 | ADRB2 (0.78) | ADRB2ADRB1TDP1LMNAPMP22 | |
| Hydrochloric Acid SCHEMBL28539285 | 0.82 | ADRB2 (0.70) | ADRB2ADRB1TDP1LMNAPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0403578-B1 | STABLE PHARMACEUTICAL COMPOSITION | OHMEDA (GB) | 1994-10-12 | — | — | EP | claimed |
| US-20140364503-A1 | READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER | Welgrace Research Group (US) | 2014-12-11 | — | — | US | disclosed |
| US-20140262915-A1 | READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER | HQ Specialty Pharma Corporation (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275249-A1 | READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER | HQ Specialty Pharma Corporation (US) | 2014-09-18 | — | — | US | disclosed |
| US-8829054-B1 | Ready-to-use co-solvents pharmaceutical composition in modified flexible plastic container | Welgrace Research Group (US) | 2014-09-09 | — | — | US | disclosed |
| US-8722736-B2 | Multi-dose concentrate esmolol with benzyl alcohol | BAXTER INTERNATIONAL INC. (US) | 2014-05-13 | — | — | US | disclosed |
| US-20120184545-A1 | HEART-SLOWING DRUG CONTAINING SHORT-ACTING BETA-BLOCKER AS TEH ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-07-19 | — | — | US | disclosed |
| US-20080293810-A1 | MULTI-DOSE CONCENTRATE ESMOLOL WITH BENZYL ALCOHOL | BAXTER HEALTHCARE S.A. (CH) | 2008-11-27 | — | — | US | disclosed |
| US-20060286037-A1 | Heart-slowing drug containing short-acting ß blocker as the active ingredient | ONO PHARMACEUTICAL CO., LTD. | 2006-12-21 | — | — | US | disclosed |
| EP-1652533-A1 | HEART-SLOWING DRUG CONTAINING SHORT-ACTING &bgr; BLOCKER AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |