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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | FURIN | P09958 | 1/20 | 0.40 |
| ▸ | Q9HBH1 | 1/20 | 0.40 | |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 4/20 | 0.40 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1517668 | 0.99 | NPC1 (0.41) | NPC1RAB9AMEN1MITFPOLB | |
| SCHEMBL11509533 | 0.93 | TFPI (0.41) | NPC1RAB9AMEN1MITFPOLB | |
| SCHEMBL7888177 | 0.92 | PDF (0.45) | NPC1RAB9AMEN1MITFPOLB | |
| SCHEMBL8002080 | 0.91 | NPC1 (0.42) | NPC1RAB9AMEN1MITFPOLB | |
| Hydrochloric Acid SCHEMBL593062 | 0.88 | NPC1 (0.50) | NPC1RAB9AMEN1MITFPOLB | |
| Hydrochloric Acid SCHEMBL2044745 | 0.88 | NPC1 (0.50) | NPC1RAB9AMEN1MITFPOLB | |
| Hydrochloric Acid SCHEMBL10768387 | 0.88 | NPC1 (0.50) | NPC1RAB9AMEN1MITFPOLB | |
| Hydrochloric Acid SCHEMBL29787057 | 0.88 | FURIN (0.49) | FURINF2 | |
| Hydrochloric Acid SCHEMBL237426 | 0.87 | F2RL1 (0.40) | F10PDFSSTR3F2 | |
| SCHEMBL2936175 | 0.87 | NPC1 (0.51) | NPC1RAB9AMEN1MITFPOLB |
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-7097967-B2 | Method of predicting drug-food interaction | LG LIFE SCIENCES LTD. (KR) | 2006-08-29 | — | — | US | disclosed |
| EP-1254136-A4 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG CHEM INVESTMENT LTD (KR) | 2005-06-01 | — | — | EP | disclosed |
| US-20040081641-A1 | Method of predicting drug-food interaction by measuring activity of pharmaceutical drug to digestive enzymes and methods of minimizing the interaction | LG LIFE SCIENCES LTD. | 2004-04-29 | — | — | US | disclosed |
| WO-2004002985-A1 | PEPTIDIC THROMBIN INHIBITOR COMPOUND | LG LIFE SCIENCES LTD. (KR) | 2004-01-08 | — | — | WO | disclosed |
| EP-0739886-B1 | Selective thrombin inhibitors | LG CHEMICAL LTD (KR) | 2003-10-01 | — | — | EP | disclosed |
| US-20030065176-A1 | Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof | LG CHEM INVESTMENT LTD. (KR) | 2003-04-03 | — | — | US | disclosed |
| EP-1254136-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG Chem Investment, Ltd. (KR) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001055146-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG CHEM INVESTMENT LTD. (KR) | 2001-08-02 | — | — | WO | disclosed |
| US-5985899-A | ANTICOAGULANTS | LG CHEMICAL LTD. (KR) | 1999-11-16 | — | — | US | disclosed |
| US-5977114-A | Selective thrombin inhibitors | LG CHEMICAL LTD. (KR) | 1999-11-02 | — | — | US | disclosed |
| US-5747535-A | AMIDINOPHENYL COMPOUNDS | LG CHEMICAL LTD. (KR) | 1998-05-05 | — | — | US | disclosed |
| WO-1997049673-A1 | SELECTIVE THROMBIN INHIBITORS | LG CHEMICAL LTD. (KR) | 1997-12-31 | — | — | WO | disclosed |
| EP-0739886-A2 | Selective thrombin inhibitors | LG Chemical Limited (KR) | 1996-10-30 | — | — | EP | disclosed |
| EP-0539497-B1 | A METHOD FOR DETECTION OF GRAM-NEGATIVE BACTERIAL LIPOSACCHARIDES IN BIOLOGICAL FLUIDS | UNIV TEXAS (US) | 1995-06-07 | — | — | EP | disclosed |
| US-5356778-A | Using antibody capture combined with amoebocyte lysate chromogenic detection | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0539497-A1 | A METHOD FOR DETECTION OF GRAM-NEGATIVE BACTERIAL LIPOSACCHARIDES IN BIOLOGICAL FLUIDS. | UNIV TEXAS (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5198339-A | Immobilized antibodies, amoebocyte lysate, chromogenic detection | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-03-30 | — | — | US | disclosed |
| WO-1992001228-A1 | A METHOD FOR DETECTION OF GRAM-NEGATIVE BACTERIAL LIPOPOLYSACCHARIDES IN BIOLOGICAL FLUIDS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-01-23 | — | — | 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-20040081641-A1 | Method of predicting drug-food interaction by measuring activity of pharmaceutical drug to digestive enzymes and methods of minimizing the interaction | SI, CYP3A5, CYP3A4 | SIGMAR1 1458/4885HDAC4 820/4885NPC1 1120/4885 |
| US-20030065176-A1 | Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof | F2, F12, TFPI | SIGMAR1 3201/4885HDAC4 1290/4885NPC1 2488/4885 |
“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.