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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.50 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.36 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.34 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL433204 | 0.97 | CA2 (0.52) | ESR1ESR2CA2CA4CA5A | |
| Phosphine SCHEMBL28291537 | 0.94 | ESR1 (0.50) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28382220 | 0.92 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28386973 | 0.92 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL13997113 | 0.81 | ALDH1A1 (0.56) | ESR1ESR2ALOX15TSHRALDH1A1 | |
| SCHEMBL4926349 | 0.79 | CA2 (0.52) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28306610 | 0.77 | ESR1 (0.50) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL8994040 | 0.74 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| Phosphine SCHEMBL28874033 | 0.74 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL3066667 | 0.74 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1224635-C | High refractive index thermoplastic polyphosphonates | JOHNSON & JOHNSON VISION CARE (US) | 2005-10-26 | — | — | CN | claimed |
| CN-1387545-A | High refractive index thermoplastic polyphosphonates | JOHNSON & JOHNSON VISION CARE (US) | 2002-12-25 | — | — | CN | claimed |
| CN-105175445-A | High Refractive Index Acrylic Compound And Method For Preparing The Same | SAMSUNG SDI CO LTD | 2015-12-23 | — | — | CN | disclosed |
| EP-1270646-B1 | RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM | TORAY INDUSTRIES (JP) | 2008-11-26 | — | — | EP | disclosed |
| CN-1224635-C | High refractive index thermoplastic polyphosphonates | JOHNSON & JOHNSON VISION CARE (US) | 2005-10-26 | — | — | CN | disclosed |
| US-6750313-B2 | HIGH REFRACTIVE INDEX AND LOW DISPERSION CHARACTERISTICS; OPTICAL LENSES, FILMS, DISCS; POLYCARBONATE RESIN CONTAINING A PHOSPHONIC ACID GROUP | TORAY INDUSTRIES, INC. (JP) | 2004-06-15 | — | — | US | disclosed |
| US-20030013836-A1 | Resin composition and articles molded therefrom | TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) | 2003-01-16 | — | — | US | disclosed |
| EP-1270646-A1 | RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM | TORAY INDUSTRIES, INC. (JP) | 2003-01-02 | — | — | EP | disclosed |
| CN-1387545-A | High refractive index thermoplastic polyphosphonates | JOHNSON & JOHNSON VISION CARE (US) | 2002-12-25 | — | — | CN | disclosed |
| US-4698448-A | Method for making aromatic phosphorus compounds | ROHM GMBH (DE) | 1987-10-06 | — | — | US | disclosed |
| US-4670601-A | Process for the preparation of bifunctional tertiary aromatic phosphine sulfides | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-06-02 | — | — | US | disclosed |
| US-4511562-A | (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-16 | — | — | US | disclosed |
| US-4415505-A | FROM A DICHLOROPHOPHANE USING A REUSABLE PHOSPHONIUM OR AN AMMONIUM CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-11-15 | — | — | US | disclosed |
| US-4267174-A | AND PROCESS FOR ADMINISTERING | BOEHRINGER MANNHEIM, GMBH (DE) | 1981-05-12 | — | — | US | disclosed |