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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.38 |
| ▸ | L3MBTL3 | Q96JM7 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3057084 | 0.98 | L3MBTL3 (0.41) | L3MBTL3L3MBTL1HRH3HTR6KMT2A | |
| SCHEMBL13190119 | 0.88 | HTR6 (0.41) | L3MBTL3L3MBTL1HRH3HTR6HPGD | |
| SCHEMBL21560986 | 0.88 | CYP2D6 (0.40) | L3MBTL3L3MBTL1HRH3HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL346675 | 0.83 | CYP2D6 (0.44) | L3MBTL3L3MBTL1HRH3HPGDKMT2A | |
| SCHEMBL4130356 | 0.82 | HRH3 (0.43) | L3MBTL3L3MBTL1HRH3HTR6KMT2A | |
| SCHEMBL345984 | 0.81 | CYP2D6 (0.46) | L3MBTL3L3MBTL1HRH3HPGDKMT2A | |
| SCHEMBL13381568 | 0.79 | CYP2D6 (0.40) | L3MBTL3L3MBTL1HRH3HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL485148 | 0.79 | HRH3 (0.34) | L3MBTL3L3MBTL1HRH3HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL1990500 | 0.78 | HTR6 (0.46) | L3MBTL3L3MBTL1HRH3HTR6HPGD | |
| Hydrochloric Acid SCHEMBL484398 | 0.77 | L3MBTL3 (0.30) | L3MBTL3L3MBTL1TSHR |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440542-B1 | Substituted benzimidazoles, benzonthiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2013-12-18 | — | — | EP | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-8492559-B2 | Substituted indole compounds | GRUENENTHAL GMBH (DE) | 2013-07-23 | — | — | US | disclosed |
| EP-2393812-B1 | SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS | GRUENENTHAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | 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-8357717-B2 | Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity | GRUENENTHAL GMBH (DE) | 2013-01-22 | — | — | US | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| EP-2440542-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| WO-2010142402-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2010-12-16 | — | — | WO | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | WO | disclosed |
| US-20100234340-A1 | Substituted Spiroamide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| WO-2010089127-A1 | SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010089084-A1 | SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | 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 |
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-20130231327-A1 | Substituted Spiro-Amide Compounds | BDKRB1, BDKRB2, REN | HRH3 93/4885HTR6 1213/4885L3MBTL3 4515/4885 |
| US-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | HRH3 53/4885HTR6 103/4885L3MBTL3 3084/4885 |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | HRH3 92/4885HTR6 432/4885L3MBTL3 4717/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | HRH3 247/4885HTR6 1611/4885L3MBTL3 1125/4885 |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | BDKRB1, BDKRB2, REN | HRH3 93/4885HTR6 1213/4885L3MBTL3 4515/4885 |
| US-20100234340-A1 | Substituted Spiroamide Compounds | BDKRB1, BDKRB2, AVPR1B | HRH3 225/4885HTR6 1267/4885L3MBTL3 4342/4885 |
“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.