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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.61 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.52 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.52 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL27700157 | 0.98 | CA1 (0.64) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL40281 | 0.98 | CA1 (0.64) | CA1CA2ALDH1A1TSHRTP53 | |
| Ammonia Solution, Strong SCHEMBL29216630 | 0.95 | CA1 (0.61) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL8029236 | 0.95 | CA1 (0.61) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL8023913 | 0.95 | CA1 (0.61) | CA1CA2ALDH1A1TSHRTP53 | |
| Bromide SCHEMBL1596774 | 0.95 | CA1 (0.61) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL28111598 | 0.93 | CA1 (0.59) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL3618354 | 0.87 | CA1 (0.53) | CA1CA2ALDH1A1TSHRTP53 | |
| SCHEMBL9828068 | 0.82 | CA1 (0.53) | CA1CA2ALDH1A1TSHRTP53 | |
| Benzamide SCHEMBL5499602 | 0.82 | PLA2G10 (0.59) | CA1CA2ALDH1A1TSHRPOLB |
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 198 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106938979-B | A kind of NO donator type statin derivative, preparation method and application | 中国医药集团总公司四川抗菌素工业研究所 | 2019-08-02 | — | — | CN | claimed |
| CN-109053527-A | A kind of synthetic method and application of macromolecule cation type bleach-activating | 江南大学 | 2018-12-21 | — | — | CN | claimed |
| CN-106423277-B | A kind of palladium nano particle catalysis agent and its preparation method and application | 河西学院 | 2018-10-09 | — | — | CN | claimed |
| CN-108358776-A | The preparation method of 4- chloromethyl benzoic acid chlorides | 江苏佳麦化工有限公司 | 2018-08-03 | — | — | CN | claimed |
| CN-108047165-A | A kind of benzoate compounds and preparation method and application | 天津科技大学 | 2018-05-18 | — | — | CN | claimed |
| CN-104877807-B | A kind of synthetic method of polymerizable cationic type bleach-activating | 江南大学 | 2018-04-13 | — | — | CN | claimed |
| CN-105418615-B | Heterocyclic carbamate derivatives and preparation and application | 北京工业大学 | 2018-02-02 | — | — | CN | claimed |
| CN-106938979-A | A kind of NO donator types statin derivative, preparation method and application | 中国医药集团总公司四川抗菌素工业研究所 | 2017-07-11 | — | — | CN | claimed |
| CN-104557708-B | One-bath synthesis method and application of cationic bleach activator | 江南大学 | 2017-04-26 | — | — | CN | claimed |
| CN-106423277-A | Palladium nano ionic catalyst and preparation method and application thereof | 河西学院 | 2017-02-22 | — | — | CN | claimed |
| CN-103706400-A | Monomolecular catalyst for catalyzing water oxidation and synthetic method thereof | UNIV JIANGSU | 2014-04-09 | — | — | CN | claimed |
| CN-102335597-B | Restricted access poly (styrene-co-divinyl benzene)-coated silica gel chromatographic packing and preparation method thereof | UNIV NANKAI | 2014-03-19 | — | — | CN | claimed |
| CN-103554024-A | Synthesis method for cationic bleaching activating agents with surface activity | UNIV JIANGNAN | 2014-02-05 | — | — | CN | claimed |
| CN-102863383-A | Preparation method of oxygen bleaching activator tribasic copper chloride (TBCC) | UNIV EAST CHINA SCIENCE & TECH | 2013-01-09 | — | — | CN | claimed |
| CN-102827144-A | Preparation method of imatinib | HUNAN OUYA BIOLOG CO LTD | 2012-12-19 | — | — | CN | claimed |
| CN-102382054-A | Parazole and isoxazole derivative, preparation method for same and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2012-03-21 | — | — | CN | claimed |
| CN-102335597-A | Restricted access poly (styrene-co-divinyl benzene)-coated silica gel chromatographic packing and preparation method thereof | UNIV NANKAI | 2012-02-01 | — | — | CN | claimed |
| CN-102329300-A | Method for preparing imatinib | CHENGDU GREEN YOUNG BIOPHARMACEUTICAL INC | 2012-01-25 | — | — | CN | claimed |
| CN-101544795-A | Polystyrene/two-dimensional silica compound and preparation method thereof | UNIV SHANGHAI | 2009-09-30 | — | — | CN | claimed |
| CN-1706840-A | Methylsulfonate of pyrimidine derivative and its prepn process, application and medicine composition | HONGZHOU XINRUIJIA BIOMEDICINE (CN) | 2005-12-14 | — | — | CN | claimed |