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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.45 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5757662 | 0.98 | LDHA (0.49) | IDO1LDHAEPHX1PPARAPPARG | |
| SCHEMBL27360388 | 0.84 | HTT (0.47) | IDO1LDHAHTTNPC1RAB9A | |
| SCHEMBL6574396 | 0.84 | IDO1 (0.46) | IDO1LDHAEPHX1FFAR1HTT | |
| SCHEMBL14443736 | 0.81 | LDHA (0.45) | IDO1LDHAEPHX1PPARAPPARG | |
| SCHEMBL7816915 | 0.80 | ALDH1A1 (0.48) | IDO1LDHAEPHX1PPARAHTT | |
| SCHEMBL8746111 | 0.79 | LDHA (0.46) | IDO1LDHAEPHX1PPARAPPARG | |
| SCHEMBL9068773 | 0.79 | CYP1A2 (0.53) | IDO1EPHX1PPARAPPARGSLC22A12 | |
| SCHEMBL1620777 | 0.78 | POLB (0.49) | IDO1PPARAPPARGHTTSLC22A12 | |
| SCHEMBL7339695 | 0.78 | MMP1 (0.48) | EPHX1PPARAPPARGNPC1RAB9A | |
| SCHEMBL12891269 | 0.77 | LDHA (0.51) | IDO1LDHAEPHX1PPARAPPARG |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785928-B1 | NOVEL N3 S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | MERCK FROSST CANADA INC (CA) | 2004-04-28 | — | — | EP | disclosed |
| EP-0785951-B1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC (CA) | 2002-04-24 | — | — | EP | disclosed |
| EP-0785928-A1 | NOVEL N3 S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | MERCK FROSST CANADA INC. (CA) | 1997-07-30 | — | — | EP | disclosed |
| EP-0785951-A1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC. (CA) | 1997-07-30 | — | — | EP | disclosed |
| US-5632969-A | N3 S2 chelating ligands optionally radiolabelled with Tc or Re, useful for diagnostic or therapeutic applications | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5556939-A | TC or RE radionuclide labelled chelate, hexapeptide complexes useful for diagnostic or therapeutic applications | MERCK FROSST CANADA, INC. (CA) | 1996-09-17 | — | — | US | disclosed |
| WO-1996011954-A1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC. (CA) | 1996-04-25 | — | — | WO | disclosed |
| WO-1996011918-A1 | NOVEL N3S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | MERCK FROSST CANADA INC. (CA) | 1996-04-25 | — | — | WO | disclosed |