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 | 4/20 | 0.54 |
| ▸ | TTR known ✓ | P02766 | 2/20 | 0.54 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.54 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.54 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.54 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.54 |
| ▸ | ALB | P02768 | 1/20 | 0.54 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.54 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.54 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.54 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.54 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.54 |
| ▸ | UGT1A10 | Q9HAW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8860337 | 0.98 | CXCL8 (0.59) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL9724473 | 0.85 | CXCL8 (0.57) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL15015538 | 0.81 | CXCL8 (0.57) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL5270832 | 0.80 | SUCNR1 (0.56) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL11517893 | 0.80 | ADRA2C (0.54) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL7683559 | 0.80 | CXCL8 (0.61) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL31226210 | 0.79 | NR1H4 (0.59) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| SCHEMBL11175115 | 0.79 | KEAP1 (0.48) | CXCL8ADRA1A | |
| SCHEMBL3054871 | 0.79 | NR1H4 (0.59) | CXCL8PTGS2NR1H4TTRAKR1B10 | |
| Hydrochloric Acid SCHEMBL9083211 | 0.79 | TDP1 (0.50) | CXCL8PTGS2NR1H4TTRAKR1B10 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326648-A4 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326649-A4 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326602-A4 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC (US) | 2007-03-21 | — | — | EP | disclosed |
| EP-1326650-A4 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | MALLINCKRODT INC (US) | 2006-08-16 | — | — | EP | disclosed |
| EP-1326651-A4 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | MALLINCKRODT INC (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2005089813-A2 | RECEPTOR-AVID EXOGENOUS OPTICAL CONTRAST AND THERAPEUTIC AGENTS | MALLINCKRODT INC. (US) | 2005-09-29 | — | — | WO | disclosed |
| EP-1326649-A1 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326650-A2 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326648-A1 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326651-A2 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | Mallinckrodt Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1326602-A1 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032285-A2 | HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032465-A1 | TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032464-A1 | NOVEL DYES FOR ORGAN FUNCTION MONITORING | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032421-A1 | INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032860-A2 | DYNAMIC ORGAN FUNCTION MONITORING AGENTS | MALLINCKRODT INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| EP-0002066-B1 | 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Teva Pharmaceutical Industries Limited (IL) | 1983-05-25 | — | — | EP | disclosed |
| US-4254128-A | 2-Adamantyl hydrazines and biocidal compositions thereof | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 1981-03-03 | — | — | US | disclosed |
| EP-0002066-A1 | 2-Adamantyl hydrazines and pharmaceutical compositions containing them | Teva Pharmaceutical Industries Limited (IL) | 1979-05-30 | — | — | EP | disclosed |