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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
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 SCHEMBL4078377 | 1.00 | SMN1; SMN2 (0.48) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| Piperazine SCHEMBL28279894 | 0.97 | CXCR4 (0.50) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| SCHEMBL361682 | 0.97 | — | — | |
| SCHEMBL1194 | 0.97 | — | — | |
| SCHEMBL8373240 | 0.97 | POLB (0.50) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| SCHEMBL7683711 | 0.95 | CXCR4 (0.52) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| SCHEMBL12958863 | 0.95 | KDM4E (0.50) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| SCHEMBL29707540 | 0.95 | POLB (0.48) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| SCHEMBL29505898 | 0.95 | POLB (0.48) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E | |
| Ammonia Solution, Strong SCHEMBL7216847 | 0.95 | POLB (0.48) | SMN1; SMN2POLBHSD17B10CXCR4KDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109400548-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 无锡乾浩生物医药有限公司 | 2019-03-01 | — | — | CN | claimed |
| CN-109384742-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 南京海燕生物医药科技有限公司 | 2019-02-26 | — | — | CN | claimed |
| JP-55100373-A | — | — | None | — | — | JP | disclosed |
| CN-112384509-B | Furin inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-113614087-B | WEE1 inhibitor and preparation and application thereof | 首药控股(北京)股份有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-113614087-A | WEE1 inhibitor, and preparation and application thereof | 首药控股(北京)股份有限公司 | 2021-11-05 | — | — | CN | disclosed |
| CN-112384509-A | Furin inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-02-19 | — | — | CN | disclosed |
| CN-111718348-A | WEE1 inhibitor, and preparation and application thereof | 首药控股(北京)有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-109400548-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 无锡乾浩生物医药有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109400548-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 无锡乾浩生物医药有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109400548-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 无锡乾浩生物医药有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109384742-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 南京海燕生物医药科技有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-109384742-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 南京海燕生物医药科技有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-109384742-A | 1-(2- hydroxyethyl) piperazine hydrochloride the new preparation method of one kind | 南京海燕生物医药科技有限公司 | 2019-02-26 | — | — | CN | disclosed |
| EP-0635008-B1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| US-5607937-A | Piperazides of substituted phenylalanine derivatives as thrombin inhibitors | PENTAPHARM AG (CH) | 1997-03-04 | — | — | US | disclosed |
| EP-0635008-A1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | Pentapharm A.G. (CH) | 1995-01-25 | — | — | EP | disclosed |
| WO-1994018185-A1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 1994-08-18 | — | — | WO | disclosed |
| JP-S55100373-A | PREPARATION OF ACID AMIDE | SHIONO KORYO KK | 1980-07-31 | — | — | JP | disclosed |