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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 SCHEMBL11157085 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL29384019 | 0.98 | MCL1 (0.53) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL198460 | 0.98 | MCL1 (0.53) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL3009009 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL78762 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL5078515 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL3695138 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| Water SCHEMBL31261447 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| SCHEMBL78760 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD | |
| Water SCHEMBL28663433 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MCL1TSHRL3MBTL1HPGD |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790122-A | Heterocyclic compound | 武田药品工业株式会社 | 2019-05-21 | — | — | CN | disclosed |
| CN-105829305-B | NRF2 regulator | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-103958468-B | Piperidinylnaphthylacetic acids | 弗·哈夫曼-拉罗切有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-105829305-A | NRF2 REGULATORS | 葛兰素史密斯克莱知识产权发展有限公司 | 2016-08-03 | — | — | CN | disclosed |
| US-20150322578-A1 | METHOD FOR MANUFACTURING MEMBRANE-ELECTRODE ASSEMBLY, MEMBRANE-ELECTRODE ASSEMBLY, LAMINATE FOR FORMING MEMBRANE-ELECTRODE ASSEMBLY, POLYMER ELECTROLYTE FUEL CELL AND WATER-ELECTROLYSIS DEVICE | JSR CORPORATION (JP) | 2015-11-12 | — | — | US | disclosed |
| EP-2927998-A1 | MEMBRANE-ELECTRODE-ASSEMBLY MANUFACTURING METHOD, MEMBRANE ELECTRODE ASSEMBLY, MEMBRANE-ELECTRODE-ASSEMBLY-FORMING LAMINATES, PROTON EXCHANGE MEMBRANE FUEL CELL, AND WATER-ELECTROLYSIS DEVICE | JSR Corporation (JP) | 2015-10-07 | — | — | EP | disclosed |
| CN-103002735-B | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2015-05-20 | — | — | CN | disclosed |
| CN-103002735-A | Modulators of 5-ht receptors and methods of use thereof | ABBVI CO | 2013-03-27 | — | — | CN | disclosed |
| CN-102712643-A | Modulators of 5-HT receptors and methods of use thereof | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |
| US-5625067-A | Cyclopentane ether derivatives, processes for their production, and their pharmaceutical use | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-04-29 | — | — | US | disclosed |
| US-4163013-A | Diphenylamine-azo-hydrocarbylsulfonylphenyl dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-31 | — | — | US | disclosed |
| US-3994873-A | Azo dyestuffs containing sulfonylamino-sulfonyl groups | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-30 | — | — | US | disclosed |
| US-3945992-A | DISAZO DYES FOR POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |