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 | |
|---|---|---|---|---|
| ▸ | HCN4 known ✓ | Q9Y3Q4 | 4/20 | 0.47 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.46 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.44 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | HCN1 | O60741 | 8/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12342527 | 0.99 | TP53 (0.56) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL13587111 | 0.89 | TP53 (0.61) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL4374590 | 0.87 | TP53 (0.58) | TP53LMNATHRBHCN1HCN4 | |
| Hydrochloric Acid SCHEMBL3405749 | 0.86 | HCN1 (0.46) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL3405602 | 0.84 | HCN1 (0.47) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL4374231 | 0.80 | KDM4E (0.55) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL13587277 | 0.80 | TP53 (0.53) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL4376672 | 0.76 | HCN1 (0.44) | TP53LMNATHRBHCN1HCN4 | |
| SCHEMBL4380829 | 0.76 | ADRB2 (0.44) | HCN1HCN4MEN1KMT2A | |
| SCHEMBL4374266 | 0.74 | OPRM1 (0.51) | TP53LMNATHRBHCN1HCN4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541573-B2 | Substituted sulfonamide compounds | GRUENENTHAL GMBH (DE) | 2013-09-24 | — | — | US | disclosed |
| US-8492559-B2 | Substituted indole compounds | GRUENENTHAL GMBH (DE) | 2013-07-23 | — | — | US | disclosed |
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| EP-2356101-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2254867-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | Grünenthal Gmbh (DE) | 2010-12-01 | — | — | EP | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| WO-2010046109-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2010-04-29 | — | — | WO | disclosed |
| US-20090298812-A1 | Substituted Sulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2009-12-03 | — | — | US | disclosed |
| WO-2009109364-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2009-09-11 | — | — | 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-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | HCN4 2271/4885CHRNA7 860/4885OPRM1 135/4885 |
| US-20090298812-A1 | Substituted Sulfonamide Compounds | BDKRB1, BDKRB2, TRPV1 | HCN4 483/4885CHRNA7 1828/4885OPRM1 180/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | HCN4 3566/4885CHRNA7 2623/4885OPRM1 1056/4885 |
“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.