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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 SCHEMBL27683907 | 1.00 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL27808189 | 1.00 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL28699665 | 0.98 | PTGS2 (0.60) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL28855948 | 0.98 | PTGS2 (0.60) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL28181896 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL30032 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL31635952 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL5395875 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL16026561 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL16026727 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898202-B | Heterocyclyl cyclopropane compound and synthesis method thereof | 中国科学院上海有机化学研究所 | 2022-11-22 | — | — | CN | disclosed |
| CN-112928331-B | Electrolyte for lithium-sulfur battery | 集美大学 | 2022-07-01 | — | — | CN | disclosed |
| CN-114269544-A | Method and apparatus for volumetric additive manufacturing of cell-loaded resins | 洛桑联邦理工学院 | 2022-04-01 | — | — | CN | disclosed |
| CN-113549132-A | Non-viral vector formed by covalent assembly of terpyridine ruthenium catalysis short peptide and preparation method and application thereof | 安徽师范大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-113372735-A | Method for efficiently preparing melanin through light induction | 浙江理工大学 | 2021-09-10 | — | — | CN | disclosed |
| CN-113358727-A | Electrochemical luminescence sensor for detecting microRNA, and preparation method and application thereof | 东南大学 | 2021-09-07 | — | — | CN | disclosed |
| US-10161876-B2 | Polydiacetylene and polydiacetylene/ZnO nanocomposite sensors | NEW JERSEY INSTITUTE OF TECHNOLOGY (US) | 2018-12-25 | — | — | US | disclosed |
| US-9428685-B2 | TCDA/zinc oxide nanocomposites and film sensors | NEW JERSEY INSTITUTE OF TECHNOLOGY (US) | 2016-08-30 | — | — | US | disclosed |
| US-9376612-B2 | TCDA/zinc oxide nanocomposites and film sensors | NEW JERSEY INSTITUTE OF TECHNOLOGY (US) | 2016-06-28 | — | — | US | disclosed |
| US-20160132759-A1 | TCDA/ZINC OXIDE NANOCOMPOSITES AND FILM SENSORS | NEW JERSEY INSTITUTE OF TECHNOLOGY | 2016-05-12 | — | — | US | disclosed |
| US-20160060511-A1 | TCDA/ZINC OXIDE NANOCOMPOSITES AND FILM SENSORS | NEW JERSEY INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | US | disclosed |
| US-20160061741-A1 | POLYDIACETYLENE AND POLYDIACETYLENE/ZNO NANOCOMPOSITE SENSORS | NEW JERSEY INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | US | disclosed |