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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.38 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.32 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.31 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.32 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4249098 | 0.79 | PARP1 (0.42) | PARP1HRH3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4249096 | 0.79 | PARP1 (0.42) | PARP1HRH3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4249092 | 0.79 | PARP1 (0.42) | PARP1HRH3CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL17393104 | 0.75 | ARG1 (0.46) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6659277 | 0.74 | HSD11B1 (0.50) | PARP1HSD11B1CYP1A2CYP2D6HPGD | |
| SCHEMBL31106404 | 0.73 | ARG1 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4204210 | 0.73 | ARG1 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6656434 | 0.73 | L3MBTL1 (0.50) | HRH3 | |
| Hydrochloric Acid SCHEMBL6659375 | 0.73 | SMN1; SMN2 (0.53) | PARP1HRH3 | |
| Hydrochloric Acid SCHEMBL6662530 | 0.73 | HRH3 (0.52) | PARP1HRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441728-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037338-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |