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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.72 |
| ▸ | ACHE known ✓ | P22303 | 13/20 | 0.67 |
| ▸ | BCHE known ✓ | P06276 | 10/20 | 0.67 |
| ▸ | BACE1 | P56817 | 12/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3602487 | 0.99 | SIGMAR1 (0.73) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| Hydrochloric Acid SCHEMBL5188069 | 0.89 | SIGMAR1 (0.67) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL4046483 | 0.88 | SIGMAR1 (0.69) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL3608857 | 0.85 | ACHE (0.67) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL2315613 | 0.84 | SIGMAR1 (1.00) | SIGMAR1MAPK1ALDH1A1 | |
| SCHEMBL5093064 | 0.83 | KMT2A (0.63) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL15006949 | 0.83 | ACHE (0.64) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL27750794 | 0.81 | ALDH1A1 (0.60) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| SCHEMBL3962557 | 0.81 | SIGMAR1 (0.59) | SIGMAR1ACHEBACE1BCHEMAPK1 | |
| Hydrochloric Acid SCHEMBL11102389 | 0.81 | MAPK1 (0.97) | SIGMAR1ACHEBACE1BCHEMAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023887-B1 | 3-SUBSTITUTED BICYCLIC AZETIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND INTERMEDIATES AS WELL AS THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1984-11-07 | — | — | EP | claimed |
| EP-0023887-A2 | 3-Substituted bicyclic azetidinone derivatives, process for their preparation, and intermediates as well as their preparation | CIBA-GEIGY AG (CH) | 1981-02-11 | — | — | EP | claimed |
| EP-0023887-B1 | 3-SUBSTITUTED BICYCLIC AZETIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND INTERMEDIATES AS WELL AS THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1984-11-07 | — | — | EP | disclosed |
| EP-0029707-B1 | NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KYOWA HAKKO KOGYO CO., LTD (JP) | 1984-02-01 | — | — | EP | disclosed |
| US-4390536-A | HYPOTENSIVE AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1983-06-28 | — | — | US | disclosed |
| US-4344948-A | HYPOTENSIVE AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1982-08-17 | — | — | US | disclosed |
| US-4344945-A | HYPOTENSIVE AGENTS, BENZOXAZINYL DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1982-08-17 | — | — | US | disclosed |
| EP-0029707-A1 | Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them | KYOWA HAKKO KOGYO CO., LTD (JP) | 1981-06-03 | — | — | EP | disclosed |
| EP-0023887-A2 | 3-Substituted bicyclic azetidinone derivatives, process for their preparation, and intermediates as well as their preparation | CIBA-GEIGY AG (CH) | 1981-02-11 | — | — | EP | disclosed |