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 | 17/20 | 1.00 |
| ▸ | ESR2 known ✓ | Q92731 | 17/20 | 1.00 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.76 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.76 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.76 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.76 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.76 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.76 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.76 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.76 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.76 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.76 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.76 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.76 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.76 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.76 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.76 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.76 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.76 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2495864 | 1.00 | ESR1 (1.00) | ESR1ESR2ENPP1ENPP3MEN1 | |
| SCHEMBL1665661 | 0.99 | ESR1 (1.00) | ESR1ESR2ENPP1ENPP3MEN1 | |
| SCHEMBL7632970 | 0.98 | ESR1 (0.98) | ESR1ESR2ENPP1ENPP3MEN1 | |
| Bromide SCHEMBL1665326 | 0.98 | ESR1 (0.98) | ESR1ESR2ENPP1ENPP3MEN1 | |
| SCHEMBL6663935 | 0.98 | ESR1 (0.98) | ESR1ESR2ENPP1ENPP3MEN1 | |
| SCHEMBL6595860 | 0.97 | ESR1 (0.96) | ESR1ESR2ENPP1ENPP3MEN1 | |
| Hydrochloric Acid SCHEMBL8169947 | 0.95 | ESR1 (0.98) | ESR1ESR2MEN1ALDH1A1LMNA | |
| SCHEMBL11547428 | 0.94 | ESR1 (0.91) | ESR1ESR2ENPP1ENPP3MEN1 | |
| SCHEMBL11550698 | 0.94 | ESR1 (1.00) | ESR1ESR2MEN1ALDH1A1LMNA | |
| SCHEMBL11549615 | 0.94 | ESR1 (1.00) | ESR1ESR2MEN1ALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2314581-B1 | A process for preparing benzo[b]thiophene derivatives | HEXAL AG (DE) | 2012-07-25 | — | — | EP | disclosed |
| EP-2322519-A1 | A process for preparing benzo[b]thiophene derivatives | Hexal AG (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2011047878-A2 | A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES | HEXAL AKTIENGESELLSCHAFT (DE) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011047877-A1 | A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES | HEXAL AKTIENGESELLSCHAFT (DE) | 2011-04-28 | — | — | WO | disclosed |
| EP-2314581-A1 | A process for preparing benzo[b]thiophene derivatives | Hexal AG (DE) | 2011-04-27 | — | — | EP | disclosed |