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 | 2/20 | 0.33 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.30 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.30 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.30 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27879268 | 0.96 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| Benzene SCHEMBL28223369 | 0.96 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL38901 | 0.96 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| Fluoride SCHEMBL28572273 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL21838773 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL27409655 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL28546150 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| Phosphine SCHEMBL29078666 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL27607098 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL28194504 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1ALOX12CA1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110407874-B | Novel aryl phosphine organic photoelectric material based on carbazole unit as core and preparation method and application thereof | 南京邮电大学 | 2021-08-10 | — | — | CN | claimed |
| CN-113105498-A | Halogen-free silicon flame-retardant allyl compound, preparation method thereof and application thereof in copper-clad plate | 艾蒙特成都新材料科技有限公司 | 2021-07-13 | — | — | CN | claimed |
| CN-103304375-A | Synthesis intermediate of Entecavir and preparation method thereof | ZHEJIANG AUSUN PHARMACEUTICAL CO LTD | 2013-09-18 | — | — | CN | claimed |
| CN-1105125-C | Rubber suitable for tire tread | TAIWAN RUBBER CO LTD (CN) | 2003-04-09 | — | — | CN | claimed |
| CN-1222529-A | Rubber suitable for tire tread | TAIWAN SYNTHETIC RUBBER CO LTD (CN) | 1999-07-14 | — | — | CN | claimed |
| CN-110407874-B | Novel aryl phosphine organic photoelectric material based on carbazole unit as core and preparation method and application thereof | 南京邮电大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-113105498-A | Halogen-free silicon flame-retardant allyl compound, preparation method thereof and application thereof in copper-clad plate | 艾蒙特成都新材料科技有限公司 | 2021-07-13 | — | — | CN | disclosed |
| CN-112851700-A | Condensed ring compound containing boron atom, oxygen atom and five-membered aromatic heterocycle and organic electroluminescent device | 中国科学院长春应用化学研究所 | 2021-05-28 | — | — | CN | disclosed |
| CN-112341485-A | Aryl silane compound, aryl silane polymer and application thereof | 广东聚华印刷显示技术有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-103468245-A | OLED material with carrier transmittability as well as preparation method and application thereof | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD | 2013-12-25 | — | — | CN | disclosed |
| CN-103304375-A | Synthesis intermediate of Entecavir and preparation method thereof | ZHEJIANG AUSUN PHARMACEUTICAL CO LTD | 2013-09-18 | — | — | CN | disclosed |
| EP-1088004-B1 | PRODUCTION OF ZIEGLER-NATTA CATALYSTS | ATOFINA RES (BE) | 2004-06-30 | — | — | EP | disclosed |
| US-6624110-B2 | Production of Ziegler-Natta catalysts | FINA RESEARCH, S.A. (BE) | 2003-09-23 | — | — | US | disclosed |
| US-20010016553-A1 | Production of Ziegler-Natta catalysts | FINA RESEARCH, S.A., A CORPORATION OF THE COUNTRY OF BELGIUM | 2001-08-23 | — | — | US | disclosed |
| EP-1088004-A1 | PRODUCTION OF ZIEGLER-NATTA CATALYSTS | FINA RESEARCH S.A. (BE) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999055740-A1 | PRODUCTION OF ZIEGLER-NATTA CATALYSTS | FINA RESEARCH S.A. (BE) | 1999-11-04 | — | — | WO | disclosed |
| EP-0952162-A1 | Production of Ziegler-Natta catalysts | FINA RESEARCH S.A. (BE) | 1999-10-27 | — | — | EP | disclosed |
| EP-0219175-B1 | SOLDERING COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-12-27 | — | — | EP | disclosed |
| US-4795508-A | LEAD-TIN ALLOY CONTAINING A SILANE FLUX COMPOUND | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1989-01-03 | — | — | US | disclosed |
| EP-0219175-A1 | Soldering compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-04-22 | — | — | EP | disclosed |