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 | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15110955 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5995614 | 0.75 | EGLN1 (0.46) | LOXL2CYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL17260715 | 0.73 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL4701602 | 0.73 | GRM5 (0.33) | CYP1A2CYP2D6CYP2C9GRM1 | |
| Methane SCHEMBL27560192 | 0.72 | SMN1; SMN2 (0.43) | CYP1A2CYP2D6CYP2C9 | |
| Methane SCHEMBL27554629 | 0.70 | — | — | |
| SCHEMBL1001760 | 0.70 | — | — | |
| SCHEMBL2643734 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL31511836 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL31511831 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120190832-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | ABBOTT GMBH & CO. KG (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20110071285-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | ABBOTT GMBH & CO. KG (DE) | 2011-03-24 | — | — | US | disclosed |
| US-7144902-B1 | Prodrugs of thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2006-12-05 | — | — | US | disclosed |
| US-6864249-B2 | Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. | LG LIFE SCIENCES, LTD. (KR) | 2005-03-08 | — | — | US | disclosed |
| US-20040048815-A1 | Low-molecular serine proteases inhibitors comprising polyhydroxy-alkyl and polyhydroxy-cycloalkyl radicals | ABBOTT GMBH & CO. KG (DE) | 2004-03-11 | — | — | US | disclosed |
| EP-1370573-A2 | LOW MOLECULAR SERINE PROTEASE INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | Abbott GmbH & Co. KG (DE) | 2003-12-17 | — | — | EP | disclosed |
| US-6642388-B1 | Room temperature cyclization of thioamide derivative with bromopyruvate without use of bases or molecular sieves in alcohol | ABBOTT GMBH & CO. KG (DE) | 2003-11-04 | — | — | US | disclosed |
| US-6639081-B1 | Reacting an aminonitrile and a cysteine ester; oxidizing without isolating | ABBOTT GMBH & CI, KG (DE) | 2003-10-28 | — | — | US | disclosed |
| US-20030134801-A1 | Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. | LG LIFE SCIENCES, LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6492402-B1 | ANTICOAGULANTS; PEPTIDE DERIVATIVES HAVING HIGH ANTITHROMBOTIC ACTIVITY AND ORAL BIOAVAILABILITY | LG LIFE SCIENCES, LTD. (KR) | 2002-12-10 | — | — | US | disclosed |
| CN-1355810-A | Prodrugs of thrombin inhibitors | BASF AG (DE) | 2002-06-26 | — | — | CN | disclosed |
| WO-2002030940-A2 | LOW MOLECULAR SERINE PROTEASE INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | ABBOTT GMBH & CO. KG (DE) | 2002-04-18 | — | — | WO | disclosed |
| EP-1196402-A1 | METHOD FOR PRODUCING 4-CYANO-2-AMINOMETHYLTHIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-17 | — | — | EP | disclosed |
| EP-1196401-A1 | METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-17 | — | — | EP | disclosed |
| EP-1165601-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| WO-2001007426-A1 | METHOD FOR PRODUCING 4-CYANO-2-AMINOMETHYLTHIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-01 | — | — | WO | disclosed |
| WO-2001007425-A1 | METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-01 | — | — | WO | disclosed |
| WO-2000061609-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | 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 (4 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-20110071285-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | F2R, C1R, PRSS1 | LOXL2 2688/4885CYP1A2 1066/4885CYP2D6 1633/4885 |
| US-20040048815-A1 | Low-molecular serine proteases inhibitors comprising polyhydroxy-alkyl and polyhydroxy-cycloalkyl radicals | F2R, C1R, PRSS1 | LOXL2 2335/4885CYP1A2 933/4885CYP2D6 1233/4885 |
| US-20030134801-A1 | Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. | SERPINC1, F2, F12 | LOXL2 2762/4885CYP1A2 138/4885CYP2D6 225/4885 |
| US-20120190832-A1 | LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS | F2R, C1R, PRSS1 | LOXL2 2688/4885CYP1A2 1066/4885CYP2D6 1633/4885 |
“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.