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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 3/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 12/20 | 0.60 |
| ▸ | PREP | P48147 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11217224 | 1.00 | FKBP1A (0.60) | FKBP1APREPACEALDH1A1CYP3A4 | |
| SCHEMBL18806512 | 0.99 | FKBP1A (0.61) | FKBP1APREPACEALDH1A1CYP3A4 | |
| SCHEMBL10343310 | 0.99 | FKBP1A (0.61) | FKBP1APREPACEALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7263625 | 0.96 | FKBP1A (0.56) | FKBP1APREPALDH1A1CYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL28910722 | 0.92 | FKBP1A (0.55) | FKBP1APREPACE | |
| SCHEMBL13018403 | 0.90 | FKBP1A (0.59) | FKBP1APREPACEALDH1A1CYP3A4 | |
| SCHEMBL6788139 | 0.89 | FKBP1A (0.64) | FKBP1APREPACE | |
| SCHEMBL11940447 | 0.89 | FKBP1A (0.64) | FKBP1APREPACE | |
| SCHEMBL6788131 | 0.89 | FKBP1A (0.64) | FKBP1APREPACE | |
| Hydrochloric Acid SCHEMBL8056287 | 0.88 | FKBP1A (0.56) | FKBP1APREPACEALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6130315-A | SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES | MERRELL PHARMACEUTICALS INC. (US) | 2000-10-10 | — | — | US | disclosed |
| US-5849866-A | Peptidase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1998-12-15 | — | — | US | disclosed |
| US-5496927-A | INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN | MERRELL PHARMACEUTICALS INC. (US) | 1996-03-05 | — | — | US | disclosed |
| EP-0195212-B1 | Novel peptidase inhibitors | MERRELL DOW PHARMA (US) | 1993-11-24 | — | — | EP | disclosed |
| US-4971993-A | HYPOTENSIVE DIPEPTIDES DERIVATIVES | AJINOMOTO CO., INC. (JP) | 1990-11-20 | — | — | US | disclosed |
| CN-86101268-A | The preparation method of new peptidase inhibitors | — | 1987-02-04 | — | — | CN | disclosed |
| EP-0195212-A2 | Novel peptidase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-09-24 | — | — | EP | disclosed |
| EP-0190852-A2 | Dipeptide derivatives and antihypertensive drugs containing them | AJINOMOTO CO., INC. (JP) | 1986-08-13 | — | — | EP | disclosed |
| US-4379146-A | Substituted phosphonamides as antihypertensives | MERCK & CO., INC. (US) | 1983-04-05 | — | — | US | disclosed |
| EP-0058427-A2 | Substituted phosphonamides, a process for preparing the same and a pharmaceutical composition which is useful in the treatment of hypertension | MERCK & CO. INC. (US) | 1982-08-25 | — | — | EP | disclosed |
| US-4316896-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1982-02-23 | — | — | US | disclosed |
| EP-0009183-B1 | PHOSPHORYL AMINOACID DERIVATIVES AND COMPOSITION FOR TREATING HYPERTENSION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1981-10-21 | — | — | EP | disclosed |
| EP-0009183-A1 | Phosphoryl aminoacid derivatives and composition for treating hypertension containing the same | MERCK & CO. INC. (US) | 1980-04-02 | — | — | EP | disclosed |
| US-4029772-A | FOR TREATMENT OF PANCREATITIS | MERCK & CO., INC. (US) | 1977-06-14 | — | — | US | disclosed |