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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.61 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | XIAP | P98170 | 1/20 | 0.61 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.61 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CPA1 | P15085 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | GRB2 | P62993 | 1/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
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 SCHEMBL8195630 | 1.00 | ALPI (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL32671739 | 0.98 | ALPI (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL10549879 | 0.84 | SLC7A5 (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine Amide SCHEMBL18241823 | 0.84 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dl-Phenylalanine SCHEMBL16649156 | 0.84 | SLC7A5 (0.81) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dl-Phenylalanine SCHEMBL7450242 | 0.84 | SLC7A5 (0.81) | ALPIPKMPTGS1XIAPSLC7A5 | |
| D-Phenylalanine SCHEMBL3054019 | 0.84 | SLC7A5 (0.81) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine SCHEMBL3050654 | 0.84 | SLC7A5 (0.81) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine SCHEMBL3047281 | 0.84 | SLC7A5 (0.81) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL29664840 | 0.82 | ESR1 (0.63) | SLC7A5HDAC8PTPN1GRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043278-A | FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID | ISIS INNOVATION LIMITED (GB) | 2000-03-28 | — | — | US | disclosed |
| EP-0863753-A1 | PERFLUOROALKYL SUBSTITUTED METALLO-BETA-LACTAMASE INHIBITORS AND METHOD FOR THE PREPARATION OF TRIFLUOROMETHYLKETONE DERIVATIVES | ISIS INNOVATION LIMITED (GB) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019681-A1 | PERFLUOROALKYL SUBSTITUTED METALLO-BETA-LACTAMASE INHIBITORS AND METHOD FOR THE PREPARATION OF TRIFLUOROMETHYLKETONE DERIVATIVES | ISIS INNOVATION LIMITED (GB) | 1997-06-05 | — | — | WO | disclosed |