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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.92 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.65 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.65 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.65 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.65 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CCR2 | P41597 | 1/20 | 0.65 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MC4R | P32245 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7062479 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL1763493 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| SCHEMBL10063607 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| Piperazine SCHEMBL28115310 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL2223234 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| Bromide SCHEMBL21961924 | 0.96 | SIGMAR1 (0.92) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| SCHEMBL9538814 | 0.96 | SIGMAR1 (0.92) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| SCHEMBL6138636 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| SCHEMBL83548 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CXCR4MEN1KMT2ACHRM2 | |
| SCHEMBL152631 | 0.96 | SIGMAR1 (1.00) | SIGMAR1CXCR4MEN1KMT2ACHRM2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143274-A | IMAGING MAMMALIAN TISSUE UTILIZING A NON-IONIC COMPLEX OF A PARAMAGNETIC ION OF LANTHANIDE ELEMENT AND A MACROCYCLIC CHELATING AGENT | BRACCO DIAGNOSTICS, INC. | 2000-11-07 | — | — | US | disclosed |
| US-5846519-A | Method for imaging mammalian tissue using 1-substituted-1,4,7-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs | BRACCO DIAGNOSTICS INC. (US) | 1998-12-08 | — | — | US | disclosed |
| US-5674470-A | Method for imaging mammalian tissue using 1-substituted- 4,7,10-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs | BRACCO DIAGNOSTICS INC. (US) | 1997-10-07 | — | — | US | disclosed |
| EP-0292689-B1 | Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs | BRACCO INT BV (NL) | 1996-07-31 | — | — | EP | disclosed |
| US-5474756-A | Chelate compound of a paramagnetic ion of lanthanide element | BRACCO INTERNATIONAL B.V. (NL) | 1995-12-12 | — | — | US | disclosed |
| EP-0232751-B1 | 1-SUBSTITUTED-4,7,10-TRISCARBOXYMETHYL-1,4,7,10-TETRAAZACYCLODODECANE AND ANALOGS | E.R. Squibb & Sons, Inc. (US) | 1991-09-11 | — | — | EP | disclosed |
| US-4885363-A | RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS | E. R. SQUIBB & SONS, INC. (US) | 1989-12-05 | — | — | US | disclosed |
| EP-0292689-A2 | Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs | BRACCO INTERNATIONAL B.V. (NL) | 1988-11-30 | — | — | EP | disclosed |
| EP-0232751-A1 | 1-substituted-4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs | E.R. Squibb & Sons, Inc. (US) | 1987-08-19 | — | — | EP | disclosed |