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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 4/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27629701 | 0.98 | SMN1; SMN2 (0.46) | SMN1; SMN2CETPEPHX2PKMTP53 | |
| Hydrochloric Acid SCHEMBL28908425 | 0.92 | CETP (0.51) | SMN1; SMN2CETPEPHX2PKMTP53 | |
| SCHEMBL27763778 | 0.85 | TP53 (0.46) | SMN1; SMN2CETPEPHX2PKMTP53 | |
| SCHEMBL27595863 | 0.80 | TP53 (0.50) | SMN1; SMN2EPHX2PKMTP53SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28379786 | 0.78 | TP53 (0.48) | SMN1; SMN2EPHX2TP53KDM4ECYP3A4 | |
| SCHEMBL11017199 | 0.78 | TSHR (0.59) | SMN1; SMN2CETPEPHX2PKMTSHR | |
| SCHEMBL7931822 | 0.76 | CETP (0.56) | SMN1; SMN2CETPEPHX2PKMTSHR | |
| SCHEMBL28241067 | 0.76 | CETP (0.47) | SMN1; SMN2CETPEPHX2PKMSIGMAR1 | |
| Hydrochloric Acid SCHEMBL28117499 | 0.76 | CA1 (0.40) | TSHRMEN1KMT2A | |
| SCHEMBL28113090 | 0.75 | TP53 (0.50) | SMN1; SMN2EPHX2TP53KDM4ECYP3A4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108940358-A | A kind of acid proof basic catalyst and preparation method and application | 浙江工业大学 | 2018-12-07 | — | — | CN | claimed |
| CN-108640882-A | A kind of continuous production three（Tribromophenoxy）The method and its production equipment of triazine | 山东旭锐新材有限公司 | 2018-10-12 | — | — | CN | claimed |
| CN-1844109-A | Process for synthesizing 3-tribromo phenoxy-cyanurate | NANTONG DEBANG REFRACTORY ENGI (CN) | 2006-10-11 | — | — | CN | claimed |
| EP-0827496-A1 | CATALIC ENANTIOSELECTIVE SYNTHESIS OF A SPIRO-FUSED AZETIDINONE | SCHERING CORPORATION (US) | 1998-03-11 | — | — | EP | claimed |
| WO-1996027587-A1 | CATALIC ENANTIOSELECTIVE SYNTHESIS OF A SPIRO-FUSED AZETIDINONE | SCHERING CORPORATION (US) | 1996-09-12 | — | — | WO | claimed |
| CN-108940358-A | A kind of acid proof basic catalyst and preparation method and application | 浙江工业大学 | 2018-12-07 | — | — | CN | disclosed |
| CN-108640882-A | A kind of continuous production three（Tribromophenoxy）The method and its production equipment of triazine | 山东旭锐新材有限公司 | 2018-10-12 | — | — | CN | disclosed |
| CN-106432334-B | Mitochondria fluorescence probe with double fluorescent emissions and its preparation method and application | 四川大学 | 2018-05-22 | — | — | CN | disclosed |
| CN-106432334-A | Mitochondria fluorescent probe with double fluorescence emission as well as preparation method and application thereof | 四川大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-103304755-B | A kind of antibacterial polypropylene block copolymer and preparation method thereof and material modified containing this segmented copolymer | SHANTOU UNIV. (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-103304755-A | Antibacterial polypropylene block copolymer and preparation method thereof and modified material containing block copolymer | UNIV SHANTOU | 2013-09-18 | — | — | CN | disclosed |
| CN-1844109-A | Process for synthesizing 3-tribromo phenoxy-cyanurate | NANTONG DEBANG REFRACTORY ENGI (CN) | 2006-10-11 | — | — | CN | disclosed |
| EP-0827496-A1 | CATALIC ENANTIOSELECTIVE SYNTHESIS OF A SPIRO-FUSED AZETIDINONE | SCHERING CORPORATION (US) | 1998-03-11 | — | — | EP | disclosed |
| WO-1996027587-A1 | CATALIC ENANTIOSELECTIVE SYNTHESIS OF A SPIRO-FUSED AZETIDINONE | SCHERING CORPORATION (US) | 1996-09-12 | — | — | WO | disclosed |