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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.40 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.39 |
| ▸ | SCN10A known ✓ | Q9Y5Y9 | 2/20 | 0.38 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
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 SCHEMBL587093 | 1.00 | LMNA (0.41) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| Hydrochloric Acid SCHEMBL29915499 | 1.00 | LMNA (0.41) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| SCHEMBL1479636 | 0.98 | LMNA (0.42) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| SCHEMBL5104456 | 0.98 | LMNA (0.42) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| SCHEMBL580393 | 0.98 | LMNA (0.42) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| SCHEMBL5104200 | 0.86 | SCN10A (0.43) | LMNAKDM4EHSD17B10TAAR1HRH4 | |
| SCHEMBL580877 | 0.85 | ALDH1A1 (0.57) | KDM4EHSD17B10ALDH1A1HTR3EHTR3B | |
| SCHEMBL5100681 | 0.85 | ALDH1A1 (0.57) | KDM4EHSD17B10ALDH1A1HTR3EHTR3B | |
| Trifluoroacetic Acid SCHEMBL4144867 | 0.85 | S1PR4 (0.44) | SCN10APARP1 | |
| SCHEMBL4111356 | 0.85 | HSD17B10 (0.57) | LMNAKDM4EHSD17B10TAAR1HRH4 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166117-A | Heteroaromatic compounds as VANIN inhibitors | 勃林格殷格翰国际公司 | 2021-07-23 | — | — | CN | disclosed |
| US-8791103-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-29 | — | — | US | disclosed |
| US-20130237522-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-12 | — | — | US | disclosed |
| US-8445525-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| EP-1771441-B8 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-1771441-B1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-7947700-B2 | Factor Xa or related serine protease inhibitors; such as 3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-ethyl]-4-(1,4-diazepan-1-yl)benzamide | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-24 | — | — | US | disclosed |
| US-20110077236-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-31 | — | — | US | disclosed |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | disclosed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | disclosed |
| US-20080146539-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-19 | — | — | US | disclosed |
| US-7371743-B2 | Carboxylic acid amides, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-05-13 | — | — | US | disclosed |
| EP-1771441-A1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2007-04-11 | — | — | EP | disclosed |
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-20050203078-A1 | Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | US | disclosed |
| WO-2005082895-A1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-09 | — | — | WO | disclosed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | disclosed |
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | 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 (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-20080146539-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | OAT, ASS1, OTC | HTR3E 3758/4885HTR3B 4073/4885HTR3A 2015/4885 |
| US-20110077236-A1 | NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | OAT, ASS1, OTC | HTR3E 3758/4885HTR3B 4073/4885HTR3A 2015/4885 |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | F11, F12, F2 | HTR3E 2178/4885HTR3B 1661/4885HTR3A 1177/4885 |
| US-20130237522-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | ASS1, GOT1, OAT | HTR3E 4121/4885HTR3B 4216/4885HTR3A 2308/4885 |
| US-20050203078-A1 | Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide | F12, TFPI, F11 | HTR3E 599/4885HTR3B 1045/4885HTR3A 349/4885 |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | F12, F11, F2 | HTR3E 875/4885HTR3B 531/4885HTR3A 460/4885 |
“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.