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 | |
|---|---|---|---|---|
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.39 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 SCHEMBL1260891 | 1.00 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL1013783 | 0.98 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL1013781 | 0.98 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL3629095 | 0.83 | ESR1 (0.57) | ALDH1A1MAPTCYP1A2HPGDTTR | |
| SCHEMBL10639238 | 0.83 | ESR1 (0.57) | ALDH1A1MAPTCYP1A2HPGDTTR | |
| SCHEMBL6505316 | 0.82 | MAPT (0.53) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL5542490 | 0.82 | MAPT (0.53) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL3027810 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL3027813 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL27852162 | 0.81 | MAPT (0.49) | ALDH1A1KDM4EMAPTKMT2AMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2335700-A1 | Hepatitis C virus polymerase inhibitors with a heterobicylic structure | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2011-06-22 | — | — | EP | disclosed |
| US-7893084-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2011-02-22 | — | — | US | disclosed |
| US-7576079-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-08-18 | — | — | US | disclosed |
| EP-1414797-B9 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2009-04-15 | — | — | EP | disclosed |
| US-20090087409-A1 | Viral Polymerase Inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-04-02 | — | — | US | disclosed |
| EP-1891951-A1 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-02-27 | — | — | EP | disclosed |
| EP-1414797-B1 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2008-01-02 | — | — | EP | disclosed |
| US-7141574-B2 | Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2006-11-28 | — | — | US | disclosed |
| US-20060160798-A1 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2006-07-20 | — | — | US | disclosed |
| EP-1414797-A2 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2004-05-06 | — | — | EP | disclosed |
| US-20040024190-A1 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2004-02-05 | — | — | US | disclosed |
| WO-2003010141-A2 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2003-02-06 | — | — | 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 (3 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-20090087409-A1 | Viral Polymerase Inhibitors | NR2C2, NR4A1, MED25 | TTR 484/4885CA2 4124/4885ESR1 387/4885 |
| US-20060160798-A1 | Viral polymerase inhibitors | NR4A1, NR1I3, RER1 | TTR 434/4885CA2 4812/4885ESR1 197/4885 |
| US-20040024190-A1 | Viral polymerase inhibitors | RCOR1, NR4A1, RER1 | TTR 664/4885CA2 4369/4885ESR1 2112/4885 |
“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.