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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.35 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.34 |
| ▸ | RRM2 known ✓ | P31350 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 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 SCHEMBL164139 | 1.00 | LOXL2 (0.47) | LOXL2BRD4MAOBGRM2CHEK1 | |
| SCHEMBL2372370 | 0.98 | LOXL2 (0.48) | LOXL2BRD4GRM2CHEK1NSD2 | |
| SCHEMBL3051067 | 0.82 | CHRNA7 (0.41) | LOXL2GRM2CHEK1 | |
| Hydrochloric Acid SCHEMBL21492041 | 0.80 | LMNA (0.38) | LOXL2BRD4 | |
| Hydrochloric Acid SCHEMBL30025750 | 0.80 | BRD4 (0.35) | BRD4GRM2CHEK1ALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL2328416 | 0.80 | BRD4 (0.35) | BRD4GRM2CHEK1ALOX5APFEN1 | |
| SCHEMBL21491789 | 0.78 | BRD4 (0.38) | LOXL2BRD4 | |
| SCHEMBL24146512 | 0.78 | GAA (0.38) | BRD4GRM2CHEK1ALOX5APFEN1 | |
| SCHEMBL2643631 | 0.78 | BRD4 (0.36) | BRD4GRM2CHEK1ALOX5APFEN1 | |
| SCHEMBL453184 | 0.78 | BRD4 (0.39) | BRD4GRM2CHEK1AR |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7803954-B2 | Competitive and selective inhibitors of trypsin-like serine proteases involved in hemostasis; anticoagulants; Ph(3-Cl)(5-OCHF2) (R)CH(OH)C(O)-Aze-Pab(OMe); oral administration; gelling matrix modified-release system | ASTRAZENECA AB (SE) | 2010-09-28 | — | — | US | disclosed |
| US-20100087651-A1 | NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | INGHARDT TORD | 2010-04-08 | — | — | US | disclosed |
| US-7645751-B2 | Mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA (SE) | 2010-01-12 | — | — | US | disclosed |
| US-20090270361-A1 | Substituted pyrazole derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| WO-2009119880-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-01 | — | — | WO | disclosed |
| US-20080090800-A1 | Mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB | 2008-04-17 | — | — | US | disclosed |
| US-20070218136-A1 | New mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB | 2007-09-20 | — | — | US | disclosed |
| US-20070202174-A1 | New mandelic acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB | 2007-08-30 | — | — | US | disclosed |
| US-6900319-B2 | Thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2005-05-31 | — | — | US | disclosed |
| CN-1198839-C | Novel dipeptide amidines as thrombin inhibitors | AIBET GMBH & CO KG (DE) | 2005-04-27 | — | — | CN | disclosed |
| US-20020169318-A1 | Novel thrombin inhibitors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2002-11-14 | — | — | US | disclosed |
| US-6444817-B1 | ANTICOAGULANTS | ABBOTT LABORATORIES | 2002-09-03 | — | — | US | disclosed |
| US-6030972-A | 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |
| EP-0873356-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| CN-1175953-A | Novel dipeptide amidines as thrombin inhibitors | BASF AG (DE) | 1998-03-11 | — | — | CN | disclosed |
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |
| WO-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | 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-20080090800-A1 | Mandelic acid derivatives and their use as thrombin inhibitors | TFPI, F2R, F2 | MAOB 581/4885HRH3 233/4885ADRB2 2864/4885 |
| US-20090270361-A1 | Substituted pyrazole derivatives and use thereof | CBR3, CBR1, NOX5 | MAOB 288/4885HRH3 14/4885ADRB2 96/4885 |
| US-20100087651-A1 | NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | TFPI, F2R, F2 | MAOB 665/4885HRH3 290/4885ADRB2 2948/4885 |
| US-20070202174-A1 | New mandelic acid derivatives and their use as thrombin inhibitors | TFPI, F2R, F2 | MAOB 665/4885HRH3 290/4885ADRB2 2948/4885 |
| US-20020169318-A1 | Novel thrombin inhibitors | TFPI, SERPINC1, F11 | MAOB 1218/4885HRH3 2499/4885ADRB2 1197/4885 |
| US-20070218136-A1 | New mandelic acid derivatives and their use as thrombin inhibitors | TFPI, F2R, F2 | MAOB 665/4885HRH3 290/4885ADRB2 2948/4885 |
“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.