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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.53 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.53 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 2/20 | 0.69 |
| ▸ | F2 | P00734 | 18/20 | 0.58 |
| ▸ | F10 | P00742 | 2/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.55 |
| ▸ | PLG | P00747 | 1/20 | 0.55 |
| ▸ | PLAT | P00750 | 1/20 | 0.55 |
| ▸ | PROC | P04070 | 1/20 | 0.55 |
| ▸ | HPN | P05981 | 1/20 | 0.55 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.55 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | KLK1 | P06870 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6779988 | 0.90 | F2 (0.71) | NQO2F2F10PRSS1PRSS2 | |
| SCHEMBL6780857 | 0.89 | NQO2 (0.56) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6780972 | 0.88 | F2 (0.54) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6784670 | 0.84 | F2 (0.82) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6785720 | 0.84 | NQO2 (0.69) | NQO2F2F10PRSS1PRSS2 | |
| SCHEMBL17614845 | 0.83 | F2 (0.84) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6779093 | 0.83 | NQO2 (0.72) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6779867 | 0.83 | NQO2 (0.74) | NQO2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL7413255 | 0.83 | F2 (0.56) | NQO2F2F10PRSS1PRSS2 | |
| Dabigatran Ethyl Ester SCHEMBL724895 | 0.82 | NQO2 (0.99) | NQO2F2F10PRSS1PRSS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6710055-B2 | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2004-03-23 | — | — | US | disclosed |
| US-20030004181-A1 | Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-01-02 | — | — | US | disclosed |
| US-6469039-B1 | BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-10-22 | — | — | US | disclosed |
| US-6414008-B1 | CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-07-02 | — | — | US | disclosed |
| US-6087380-A | ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-07-11 | — | — | 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 (1 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-20030004181-A1 | Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions | F2, TFPI, FGB | SLC6A2 4563/4885AGTR1 773/4885SLC6A3 4850/4885 |
“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.