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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.53 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.50 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.53 |
| ▸ | EBP | Q15125 | 2/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333264 | 0.99 | KCNJ1 (0.55) | KCNJ1KCNH2SIGMAR1EBPTMEM97 | |
| SCHEMBL6095487 | 0.89 | MCHR1 (0.52) | KCNJ1KCNH2SIGMAR1EBPTMEM97 | |
| SCHEMBL1333911 | 0.88 | SIGMAR1 (0.61) | SIGMAR1EBPTMEM97ADRA1DADRA1A | |
| SCHEMBL7027091 | 0.87 | MCHR1 (0.49) | KCNJ1KCNH2SIGMAR1EBPTMEM97 | |
| SCHEMBL1332159 | 0.86 | HTR1A (0.55) | KCNH2 | |
| SCHEMBL2954066 | 0.86 | MCHR1 (0.48) | KCNJ1KCNH2SIGMAR1EBPTMEM97 | |
| Hydrochloric Acid SCHEMBL1333220 | 0.86 | SIGMAR1 (0.55) | SIGMAR1EBPTMEM97ADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL1332118 | 0.86 | SIGMAR1 (0.67) | SIGMAR1EBPTMEM97ADRA1DADRA1A | |
| SCHEMBL1333990 | 0.86 | SIGMAR1 (0.57) | SIGMAR1EBPTMEM97ADRA1DADRA1A | |
| SCHEMBL1333135 | 0.85 | SIGMAR1 (0.56) | SIGMAR1EBPTMEM97ADRA1DADRA1A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183374-B2 | Piperidine and piperazine derivatives | M'S SCIENCE CORPORATION (JP) | 2012-05-22 | — | — | US | disclosed |
| US-20110281890-A1 | Piperidine and piperazine derivatives | M'S SCIENCE CORPORATION | 2011-11-17 | — | — | US | disclosed |
| EP-1978959-B1 | PIPERIDINE AND PIPERAZINE DERIVATIVES | MS SCIENCE CORP (JP) | 2011-11-09 | — | — | EP | disclosed |
| EP-2340835-A1 | Piperidine and piperazine derivatives | M's Science Corporation (JP) | 2011-07-06 | — | — | EP | disclosed |
| EP-1976525-B1 | PIPERIDINE AND PIPERAZINE DERIVATIVES | MS SCIENCE CORP (JP) | 2010-11-03 | — | — | EP | disclosed |
| US-20100256162-A1 | Piperazine and Piperidine Derivatives | AGY THERAPEUTICS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20100137334-A1 | Piperidine and Piperazine Derivatives | SUN CONNIE L | 2010-06-03 | — | — | US | disclosed |
| EP-1978959-A4 | PIPERIDINE AND PIPERAZINE DERIVATIVES | MS SCIENCE CORP (JP) | 2009-09-02 | — | — | EP | disclosed |
| EP-1976525-A4 | PIPERIDINE AND PIPERAZINE DERIVATIVES | MS SCIENCE CORP (JP) | 2009-07-15 | — | — | EP | disclosed |
| EP-1978959-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES | M's Science Corporation (JP) | 2008-10-15 | — | — | EP | disclosed |
| EP-1976525-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES | M's Science Corporation (JP) | 2008-10-08 | — | — | EP | disclosed |
| WO-2008096189-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES | M'S SCIENCE CORPORATION (JP) | 2008-08-14 | — | — | WO | disclosed |
| WO-2007089462-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES | M'S SCIENCE CORPORATION (JP) | 2007-08-09 | — | — | 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-20100137334-A1 | Piperidine and Piperazine Derivatives | SIGMAR1, OPRM1, OPRD1 | KCNH2 332/4885SIGMAR1 1/4885ADRA1D 19/4885 |
| US-20110281890-A1 | Piperidine and piperazine derivatives | SIGMAR1, OPRM1, OPRD1 | KCNH2 369/4885SIGMAR1 1/4885ADRA1D 50/4885 |
| US-20100256162-A1 | Piperazine and Piperidine Derivatives | SIGMAR1, OPRM1, OPRD1 | KCNH2 360/4885SIGMAR1 1/4885ADRA1D 62/4885 |
“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.