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 | |
|---|---|---|---|---|
| ▸ | KLKB1 known ✓ | P03952 | 1/20 | 0.44 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.43 |
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CFD | P00746 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | F11 | P03951 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 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 | |
|---|---|---|---|---|
| SCHEMBL29557420 | 0.98 | AKR1B1 (0.61) | AKR1B1TDP1CFDKDM4ECYP2C9 | |
| SCHEMBL197933 | 0.98 | AKR1B1 (0.61) | AKR1B1TDP1CFDKDM4ECYP2C9 | |
| Oxalic Acid SCHEMBL6928691 | 0.94 | AKR1B1 (0.57) | AKR1B1TDP1CFDKDM4ECYP2C9 | |
| Hydrochloric Acid SCHEMBL6767821 | 0.89 | AKR1B1 (0.73) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| Hydrochloric Acid SCHEMBL9621764 | 0.89 | AKR1B1 (0.73) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| SCHEMBL29410826 | 0.86 | AKR1B1 (0.76) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| SCHEMBL30359 | 0.86 | AKR1B1 (0.76) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| Iodide SCHEMBL31305035 | 0.84 | AKR1B1 (0.73) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| Bicarbonate SCHEMBL31055577 | 0.84 | KDM4E (0.53) | AKR1B1TDP1KDM4ECYP2C9HPGD | |
| SCHEMBL28842838 | 0.84 | AKR1B1 (0.73) | AKR1B1TDP1KDM4ECYP2C9HPGD |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104781256-B | 3,4 pairs of substitution oxazolidinone derivatives and its purposes as the inhibitor of calcium-activated potassium channel | 霍夫曼-拉罗奇有限公司 | 2017-09-29 | — | — | CN | disclosed |
| CN-104781256-A | 3,4-disubstituted oxazolidinone derivatives and their use as inhibitors of the calcium activated potassium channel | HOFFMANN LA ROCHE | 2015-07-15 | — | — | CN | disclosed |
| EP-0946499-B1 | N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | ELAN PHARM INC (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6262302-B1 | ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. | 2001-07-17 | — | — | US | disclosed |
| US-6153652-A | N-(aryl/heteroaryl/alkylacetyl) amino acid amides, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds | ELAN PHARMACEUTICALS, INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0692982-B1 | RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS | DU PONT PHARM CO (US) | 2000-07-05 | — | — | EP | disclosed |
| EP-0995761-A2 | Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders | Dupont Pharmaceuticals Company (US) | 2000-04-26 | — | — | EP | disclosed |
| CN-1238760-A | N- (aryl/heteroaryl/alkylacetyl) amino acid amides, pharmaceutical compositions containing such compounds, and methods of inhibiting beta-amyloid peptide release and or synthesis using such compounds | ELAN PHARM INC (US) | 1999-12-15 | — | — | CN | disclosed |
| EP-0946499-A1 | N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | Athena Neurosciences, Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0625164-B1 | CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | DU PONT MERCK PHARMA (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1995023811-A1 | NOVEL CARBOCYCLIC COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION BY INTERACTION WITH THE GPIIB/IIIA RECEPTOR COMPLEX | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-09-08 | — | — | WO | disclosed |
| WO-1994026779-A1 | PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-24 | — | — | WO | disclosed |
| EP-0625164-A1 | CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-23 | — | — | EP | disclosed |
| WO-1994022494-A1 | RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | disclosed |
| WO-1994022910-A1 | CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | disclosed |
| WO-1993007170-A1 | CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | disclosed |
| US-4198506-A | INTERMEDIATES FOR THE CORRESPONDING 3-SUBSTITUTED 3-CEPHEM-4-CARBOXYLIC ACIDS | BRISTOL-MYERS COMPANY (US) | 1980-04-15 | — | — | US | disclosed |
| US-4151352-A | CEPHALOSPORINS, BACTERICIDES | BRISTOL-MYERS COMPANY (US) | 1979-04-24 | — | — | US | disclosed |
| US-4100346-A | Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids | BRISTOL-MYERS COMPANY (US) | 1978-07-11 | — | — | US | disclosed |
| US-4082912-A | ANTIBACTERIAL | BRISTOL-MYERS COMPANY (US) | 1978-04-04 | — | — | US | disclosed |