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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.31 |
| ▸ | GMNN | O75496 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL189725 | 0.98 | KDM4E (0.46) | KDM4EMAPTALDH1A1USP2ESR1 | |
| SCHEMBL29054905 | 0.86 | KDM4E (0.47) | KDM4EMAPTALDH1A1LMNAGMNN | |
| SCHEMBL29054940 | 0.86 | KDM4E (0.47) | KDM4EMAPTALDH1A1LMNAGMNN | |
| SCHEMBL7799885 | 0.80 | ESR1 (0.39) | ESR1ESR2PKMLMNAPOLB | |
| SCHEMBL29054910 | 0.77 | KDM4E (0.46) | KDM4EALDH1A1POLBMAPK1KMT2A | |
| SCHEMBL3119668 | 0.75 | TSHR (0.42) | KDM4EALDH1A1USP2ESR1ESR2 | |
| SCHEMBL1388961 | 0.75 | CA1 (0.43) | KDM4EALDH1A1USP2ESR1ESR2 | |
| SCHEMBL18954349 | 0.75 | KDM4E (0.44) | KDM4EMAPTUSP2PDK1PDK2 | |
| SCHEMBL12139803 | 0.74 | KDM4E (0.46) | KDM4EMAPTALDH1A1USP2PKM | |
| SCHEMBL4589973 | 0.74 | KDM4E (0.42) | KDM4EMAPT |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732061-B2 | Cinnoline derivatives useful as CB-1 receptor inverse agonists | JANSSEN PHARMACEUTICA NV (BE) | 2017-08-15 | — | — | US | disclosed |
| US-9682940-B2 | Indazole derivatives useful as CB-1 inverse agonists | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-20 | — | — | US | disclosed |
| CN-102958525-B | Antiviral compounds | 普罗瑟塔抗病毒股份有限公司 | 2017-05-24 | — | — | CN | disclosed |
| WO-2017034872-A1 | INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-02 | — | — | WO | disclosed |
| US-20170057925-A1 | INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-02 | — | — | US | disclosed |
| WO-2016115013-A1 | CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-21 | — | — | WO | disclosed |
| US-20160200719-A1 | CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-14 | — | — | US | disclosed |
| EP-2585073-B1 | ANTIVIRAL COMPOUNDS | PROSETTA ANTIVIRAL INC (US) | 2016-04-27 | — | — | EP | disclosed |
| US-8785434-B2 | Antiviral compounds | PROSETTA ANTIVIRAL INC. (US) | 2014-07-22 | — | — | US | disclosed |
| EP-2585073-A1 | ANTIVIRAL COMPOUNDS | Prostetta Antiviral Inc. (US) | 2013-05-01 | — | — | EP | disclosed |
| CN-102958525-A | Antiviral compounds | PROSTETTA ANTIVIRAL INC | 2013-03-06 | — | — | CN | disclosed |
| US-20120157435-A1 | Antiviral Compounds | PROSETTA ANTIVIRAL INC. (US) | 2012-06-21 | — | — | US | disclosed |
| WO-2011137447-A1 | ANTIVIRAL COMPOUNDS | PROSTETTA ANTIVIRAL INC. (US) | 2011-11-03 | — | — | WO | disclosed |
| EP-1572683-B1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2006-10-18 | — | — | EP | disclosed |
| US-20060069120-A1 | Novel piperidine derivaties as modulators of chemokine receptor ccr5 | ASTRAZENECA AB (SE) | 2006-03-30 | — | — | US | disclosed |
| EP-1572683-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 | AstraZeneca AB (SE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004056808-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2004-07-08 | — | — | 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 (4 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-20120157435-A1 | Antiviral Compounds | MAVS, ZC3HAV1, EIF2AK2 | ESR1 3091/4885ESR2 2012/4885ADRB1 4451/4885 |
| US-20060069120-A1 | Novel piperidine derivaties as modulators of chemokine receptor ccr5 | CCR5, CCR2, CXCR4 | ESR1 1250/4885ESR2 767/4885ADRB1 31/4885 |
| US-20160200719-A1 | CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS | CNR1, CNR2, GPR119 | ESR1 346/4885ESR2 434/4885ADRB1 6/4885 |
| US-20170057925-A1 | INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS | CNR1, GPR119, CNR2 | ESR1 910/4885ESR2 546/4885ADRB1 11/4885 |
“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.