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 2)
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 SCHEMBL3177961 | 1.00 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL5668661 | 0.99 | BACE1 (0.81) | BACE1CTSD | |
| SCHEMBL6040980 | 0.99 | BACE1 (0.81) | BACE1CTSD | |
| SCHEMBL3177699 | 0.98 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL3171753 | 0.96 | BACE1 (0.76) | BACE1CTSD | |
| Hydrochloric Acid SCHEMBL3178967 | 0.95 | BACE1 (0.72) | BACE1CTSD | |
| Hydrochloric Acid SCHEMBL3178956 | 0.95 | BACE1 (0.72) | BACE1CTSD | |
| SCHEMBL3501476 | 0.95 | BACE1 (0.75) | BACE1CTSD | |
| SCHEMBL13526261 | 0.95 | BACE1 (0.75) | BACE1CTSD | |
| SCHEMBL3501480 | 0.95 | BACE1 (0.75) | BACE1CTSD |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100145056-A1 | ACETYL 2-HYDROXY-1,3-DIAMINOALKANES | JOHN VARGHESE | 2010-06-10 | — | — | US | disclosed |
| US-7645780-B2 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | ELAN PHARMACEUTICALS, INC. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7544717-B2 | 2-amino- and 2-thio- substituted 1,3-diaminopropanes | ELAN PHARMACEUTICALS, INC. (US) | 2009-06-09 | — | — | US | disclosed |
| US-20070293483-A1 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | ELAN PHARMACEUTICALS, INC. | 2007-12-20 | — | — | US | disclosed |
| US-7244725-B2 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | ELAN PHARMACEUTICALS, INC. (US) | 2007-07-17 | — | — | US | disclosed |
| EP-1734942-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-12-27 | — | — | EP | disclosed |
| EP-1729755-A1 | METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-12-13 | — | — | EP | disclosed |
| US-20060014790-A1 | Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors | ELAN PHARMACEUTICALS, INC. | 2006-01-19 | — | — | US | disclosed |
| US-20050267199-A1 | 2-Amino- and 2-thio- substituted 1,3-diaminopropanes | ELAN PHARMACEUTICALS, INC. | 2005-12-01 | — | — | US | disclosed |
| US-20050261273-A1 | Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors | ELAN PHARMACEUTICALS, INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005070407-A1 | METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| US-20040180939-A1 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | ELAN PHARMACEUTICALS INC. | 2004-09-16 | — | — | 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 (6 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-20050261273-A1 | Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors | DNPEP, ASPH, PEPD | BACE1 98/4885CTSD 171/4885 |
| US-20100145056-A1 | ACETYL 2-HYDROXY-1,3-DIAMINOALKANES | BACE1, BACE2, APP | BACE1 1/4885CTSD 185/4885 |
| US-20060014790-A1 | Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors | ASPH, DNPEP, ACE | BACE1 15/4885CTSD 154/4885 |
| US-20040180939-A1 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | BACE1, BACE2, APP | BACE1 1/4885CTSD 107/4885 |
| US-20050267199-A1 | 2-Amino- and 2-thio- substituted 1,3-diaminopropanes | BACE1, APP, BACE2 | BACE1 1/4885CTSD 311/4885 |
| US-20070293483-A1 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | BACE1, BACE2, APP | BACE1 1/4885CTSD 185/4885 |
“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.