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 | |
|---|---|---|---|---|
| ▸ | KCNA3 known ✓ | P22001 | 1/20 | 0.41 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | BAX | Q07812 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8828064 | 0.97 | — | — | |
| Diphenylether SCHEMBL27463159 | 0.72 | LTA4H (0.92) | LTA4HTSHRCA4NR1H2BAX | |
| Diphenylether SCHEMBL2859485 | 0.72 | LTA4H (0.92) | LTA4HTSHRCA4NR1H2BAX | |
| Diphenylether SCHEMBL30263689 | 0.72 | LTA4H (0.92) | LTA4HTSHRCA4NR1H2BAX | |
| SCHEMBL106233 | 0.69 | — | — | |
| Diphenylether SCHEMBL27269356 | 0.69 | LTA4H (0.86) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL11497410 | 0.69 | LTA4H (0.86) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL8326282 | 0.69 | — | — | |
| Diphenylether SCHEMBL9061108 | 0.67 | LTA4H (1.00) | LTA4HTSHRCA4NR1H2BAX | |
| SCHEMBL14905 | 0.67 | LTA4H (0.60) | LTA4HTSHRCA4KCNA3CA5A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812862-B1 | Process for polymerizing olefins | MITSUI CHEMICALS INC (JP) | 2002-11-13 | — | — | EP | disclosed |
| US-6063726-A | CATALYST COMPRISING SOLID COMPONENT OBTAINED BY SUPPORTING ZIRCONIUM COMPOUND ON POROUS INORGANIC OXIDE TREATED WITH HALOGENATED ALUMOXANE, ALUMOXANE | MITSUI CHEMICALS, INC. (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0594218-B1 | Process for polymerizing olefins | MITSUI CHEMICALS INC (JP) | 1999-03-17 | — | — | EP | disclosed |
| US-5700749-A | USING ZIRCONIUM METALLOCENE CATALYST, ALUMOXANE CATALYST, AND ORGANOALUMINUM CATALYST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-23 | — | — | US | disclosed |
| EP-0812862-A2 | Process for polymerizing olefins | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-17 | — | — | EP | disclosed |
| US-5654248-A | COORDINATION CATALYST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0406912-B1 | Process for polymerizing olefins | MITSUI PETROCHEMICAL IND (JP) | 1994-11-30 | — | — | EP | disclosed |
| EP-0594218-A1 | Process for polymerizing olefins | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |
| EP-0287666-B1 | PROCESS FOR POLYMERIZING OLEFINS | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1993-05-26 | — | — | EP | disclosed |
| EP-0279863-B1 | CATALYST FOR POLYMERIZING ALPHA-OLEFIN AND POLYMERIZATION PROCESS | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-14 | — | — | EP | disclosed |
| EP-0406912-A2 | Process for polymerizing olefins | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-01-09 | — | — | EP | disclosed |
| US-4831091-A | USING A COORDINATION CATALYST CONTAINING A SILANETRIOL OR -DIOL AS WELL AS AN AROMATIC ESTSER; ODORLESS; STEREOSPECIFIC; PARTICLE SIZES | CHISSO CORPORATION (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0287666-A1 | PROCESS FOR POLYMERIZING OLEFINS | Mitsui Chemicals, Inc. (JP) | 1988-10-26 | — | — | EP | disclosed |
| EP-0279863-A1 | CATALYST FOR POLYMERIZING ALPHA-OLEFIN AND POLYMERIZATION PROCESS | MITSUI CHEMICALS, INC. (JP) | 1988-08-31 | — | — | EP | disclosed |
| US-4551439-A | Solid catalyst component for olefin polymerization and process for producing same | CHISSO CORPORATION (JP) | 1985-11-05 | — | — | US | disclosed |