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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 8/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 6/20 | 0.41 |
| ▸ | HTR2B known ✓ | P41595 | 6/20 | 0.41 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.37 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 7/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 7/20 | 0.35 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.35 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.35 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4778750 | 0.98 | HTR2C (0.44) | HTR2CHTR2AHTR2BMEN1GAA | |
| Hydrochloric Acid SCHEMBL10382642 | 0.86 | HTR2C (0.41) | HTR2CHTR2AHTR2BMEN1GAA | |
| Hydrochloric Acid SCHEMBL7249716 | 0.86 | HTR2C (0.41) | HTR2CHTR2AHTR2BMEN1GAA | |
| SCHEMBL17103038 | 0.86 | HTR2C (0.40) | HTR2CHTR2AHTR2BSLC6A2SLC6A4 | |
| SCHEMBL263979 | 0.84 | HTR2C (0.42) | HTR2CHTR2AHTR2BMEN1GAA | |
| Benzamide SCHEMBL1221327 | 0.83 | PARP1 (0.41) | HTR2CHTR2AHTR2BMEN1KMT2A | |
| SCHEMBL31444395 | 0.82 | HTR2C (0.38) | HTR2CHTR2AHTR2BSLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL31444465 | 0.78 | PDCD1LG2 (0.46) | HTR2CHTR2AHTR2BMEN1GAA | |
| SCHEMBL22456068 | 0.76 | PDCD1LG2 (0.47) | HTR2CHTR2AHTR2BMEN1GAA | |
| SCHEMBL1638955 | 0.75 | HTR2C (0.44) | HTR2CHTR2AHTR2BGAAADRB1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108299337-A | The preparation method of one kind 2,3- dichlorophenylpiperazine hydrochlorides | 吴江信凯医药科技有限公司 | 2018-07-20 | — | — | CN | claimed |
| CN-103172564-B | The preparation method of Aripiprazole | BEIJING JINGWEI YANKANG PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-103420898-B | Diaryl piperidines analog derivative and the application as Mutiple Targets anti-depression drug thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-103172564-A | Preparation method of aripiprazole | JEWIM BEIJING PHARMACEUTICAL INST CO LTD | 2013-06-26 | — | — | CN | disclosed |
| CN-102267971-A | Alicyclic-o[c] benzopyrone derivative and application thereof | — | 2011-12-07 | — | — | CN | disclosed |
| CN-100554266-C | Aryl piperazine modified benzo [b] thiophene compound and preparation method and application | UNIV TIANJIN (CN) | 2009-10-28 | — | — | CN | disclosed |
| CN-100422181-C | [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER LAMBERT CO (US) | 2008-10-01 | — | — | CN | disclosed |
| CN-1935807-A | Aryl piperazine modified benzo [b] thiophene compound, and its preparing method and use | UNIV TIANJIN (CN) | 2007-03-28 | — | — | CN | disclosed |
| CN-1844120-A | Aryl piperazine modified benzo [b] thiophene compounds and their preparation method and use | UNIV TIANJIN (CN) | 2006-10-11 | — | — | CN | disclosed |
| CN-1839134-A | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER LAMBERT CO (US) | 2006-09-27 | — | — | CN | disclosed |
| CN-1071754-C | Pyrimidinylpyrazole derivative | DAIICHI SEIYAKU CO (JP) | 2001-09-26 | — | — | CN | disclosed |
| CN-1166833-A | pyrimidinyl pyrazole derivatives | DAIICHI SEIYAKU CO (JP) | 1997-12-03 | — | — | CN | disclosed |