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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | KCNQ1 known ✓ | P51787 | 1/20 | 0.43 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.43 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.43 |
| ▸ | KCND3 known ✓ | Q9UK17 | 1/20 | 0.43 |
| ▸ | SPPL2A | Q8TCT8 | 3/20 | 0.67 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
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 SCHEMBL612336 | 1.00 | SPPL2A (0.67) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL4608269 | 1.00 | SPPL2A (0.67) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL1548334 | 1.00 | SPPL2A (0.67) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL6420306 | 1.00 | SPPL2A (0.67) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1234685 | 0.99 | SPPL2A (0.68) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL469706 | 0.99 | SPPL2A (0.68) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1668736 | 0.99 | SPPL2A (0.68) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28738226 | 0.93 | SPPL2A (0.59) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28738354 | 0.93 | SPPL2A (0.59) | SPPL2APSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28738224 | 0.93 | SPPL2A (0.59) | SPPL2APSEN1PSEN2APH1BNCSTN |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835684-B2 | Preparation of 2R,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | AMPAC FINE CHEMICALS LLC (US) | 2014-09-16 | — | — | US | disclosed |
| EP-2319824-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)amine | Ampac Fine Chemicals LLC (US) | 2012-04-11 | — | — | EP | disclosed |
| EP-2314564-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-04-04 | — | — | EP | disclosed |
| EP-2314564-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-04-04 | — | — | EP | disclosed |
| EP-2314563-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-04-04 | — | — | EP | disclosed |
| EP-2314563-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-04-04 | — | — | EP | disclosed |
| EP-2314562-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2314562-A3 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines | Ampac Fine Chemicals LLC (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2319824-A2 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)amine | Ampac Fine Chemicals LLC (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2319824-A2 | Improved preparation of 2S,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)amine | Ampac Fine Chemicals LLC (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20030181723-A1 | Dehalogenation, amination; a viricides treating Human immunodeficiency virus (HIV), Acquired immunodeficiency syndrome (AIDS) | AEROJET FINE CHEMICALS LLC, A DELAWARE LIMITED LIABILITY COMPANY (US) | 2003-09-25 | — | — | US | disclosed |
| US-6548706-B2 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | AEROJET FINE CHEMICALS LLC | 2003-04-15 | — | — | US | disclosed |
| US-6548706-B2 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | AEROJET FINE CHEMICALS LLC | 2003-04-15 | — | — | US | disclosed |
| US-6548706-B2 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | AEROJET FINE CHEMICALS LLC | 2003-04-15 | — | — | US | disclosed |
| EP-1244610-A1 | IMPROVED PREPARATION OF 2S,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | Aerojet Fine Chemicals LLC. (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1244610-A1 | IMPROVED PREPARATION OF 2S,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | Aerojet Fine Chemicals LLC. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-20010051725-A1 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | AMPAC FINE CHEMICALS LLC | 2001-12-13 | — | — | US | disclosed |
| US-20010051725-A1 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | AMPAC FINE CHEMICALS LLC | 2001-12-13 | — | — | US | disclosed |
| WO-2001046120-A1 | IMPROVED PREPARATION OF 2S,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | AEROJET FINE CHEMICALS LLC (US) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001046120-A1 | IMPROVED PREPARATION OF 2S,3S-N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE HYDROCHLORIDE AND OTHER DERIVATIVES OF 2-HYDROXY-1,3-DIAMINES | AEROJET FINE CHEMICALS LLC (US) | 2001-06-28 | — | — | WO | 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 (2 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-20010051725-A1 | Directly from a halomethyl alcohol protected amine derivative and an amine or alkyl carbamate substituted halomethyl alcohol without having to isolate the toxic boc-epoxide; high yield of pure enantiomorph | PTMA, CYP2E1, ADH5 | ADRA1A 1214/4885KCNQ1 3935/4885KCNH2 2885/4885 |
| US-20030181723-A1 | Dehalogenation, amination; a viricides treating Human immunodeficiency virus (HIV), Acquired immunodeficiency syndrome (AIDS) | SAMHD1, INMT, CYP2S1 | ADRA1A 1211/4885KCNQ1 2770/4885KCNH2 2001/4885 |
“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.