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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 9/20 | 0.40 |
| ▸ | METAP1 | P53582 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.35 |
| ▸ | GPR88 | Q9GZN0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4205427 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL3511596 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL328872 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL29618100 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL329165 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL3045972 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL329193 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL329101 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL2331995 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL13058644 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105152959-A | Synthesis method of (2S, 3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI SYNTHEALL PHARMACEUTICAL CO LTD | 2015-12-16 | — | — | CN | disclosed |
| EP-2738164-A1 | Synthesis of an intermediate of an antiviral compound | Dipharma Francis S.r.l. (IT) | 2014-06-04 | — | — | EP | disclosed |
| US-20140148574-A1 | SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND | DIPHARMA FRANCIS S.R.L. (IT) | 2014-05-29 | — | — | US | disclosed |
| US-20130131359-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-23 | — | — | US | disclosed |
| US-8440862-B2 | Process for preparing β-amino-α-hydroxycarboxamides | EVONIK DEGUSSA GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-8383858-B2 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-26 | — | — | US | disclosed |
| US-8183413-B2 | Process for production of β-amino-α-hydroxy carboxamide derivative | KANEKA CORPORATION (JP) | 2012-05-22 | — | — | US | disclosed |
| EP-2407448-A2 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-18 | — | — | EP | disclosed |
| US-20100298568-A1 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-25 | — | — | US | disclosed |
| US-7834190-B2 | Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof | KANEKA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |
| US-20100048909-A1 | Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof | KANEKA CORPORATION | 2010-02-25 | — | — | US | disclosed |
| US-20100010242-A1 | Process for Preparing beta-Amino-alpha-Hydroxycarboxamides | DEGUSSA GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-20090312577-A1 | Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative | KANEKA CORPORATION (JP) | 2009-12-17 | — | — | US | disclosed |
| US-7612237-B2 | By reaction between epoxycarboxamides and ammonia or amines and enantioselectively crystallizing the salts of racemic diastereomerically enriched compounds using a chiral organic acid | DEGUSSA GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| EP-2039689-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-2 -HYDROXYPROPIONIC CYCLOPROPYLAMIDE DERIVATIVES AND SALTS THEREOF | Kaneka Corporation (JP) | 2009-03-25 | — | — | EP | disclosed |
| EP-1988073-A1 | PROCESS FOR PRODUCTION OF BETA-AMINO-ALPHA-HYDROXY ACID AMIDE DERIVATIVE | Kaneka Corporation (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2008029267-A2 | HYDROCHLORIDES OF 3-AMINO-2-HYDROXY CARBOXAMIDES | DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) | 2008-03-13 | — | — | WO | disclosed |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | DEGUSSA GMBH (DE) | 2008-01-17 | — | — | US | disclosed |
| US-20070244334-A1 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100298568-A1 | Processes and intermediates for preparing steric compounds | REV1, HSD11B1, CYP11B1 | SIGMAR1 465/4885SMYD3 4359/4885METAP2 1514/4885 |
| US-20140148574-A1 | SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND | ZC3HAV1, PREP, EIF2AK2 | SIGMAR1 4139/4885SMYD3 3501/4885METAP2 137/4885 |
| US-20100010242-A1 | Process for Preparing beta-Amino-alpha-Hydroxycarboxamides | BCAT1, ASPH, BCAT2 | SIGMAR1 1633/4885SMYD3 1882/4885METAP2 288/4885 |
| US-20100048909-A1 | Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof | HPD, HAAO, OGFOD1 | SIGMAR1 1302/4885SMYD3 3856/4885METAP2 975/4885 |
| US-20090312577-A1 | Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative | PTMA, ATIC, HCAR2 | SIGMAR1 796/4885SMYD3 4666/4885METAP2 1578/4885 |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | BCAT1, ASPH, BCAT2 | SIGMAR1 1633/4885SMYD3 1882/4885METAP2 288/4885 |
| US-20070244334-A1 | Processes and intermediates for preparing steric compounds | REV1, HSD11B1, CYP11B1 | SIGMAR1 465/4885SMYD3 4359/4885METAP2 1514/4885 |
| US-20130131359-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS | REV1, HSD11B1, CYP11B1 | SIGMAR1 465/4885SMYD3 4359/4885METAP2 1514/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.