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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 4/20 | 0.48 |
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.48 |
| ▸ | BCHE known ✓ | P06276 | 2/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.38 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 1/20 | 0.48 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.48 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.48 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.48 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 SCHEMBL30537100 | 1.00 | MAOA (0.48) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL30252635 | 0.98 | MAOA (0.50) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL50865 | 0.98 | MAOA (0.50) | MAOAMAOBCDC25BIDO1AKT1 | |
| Bicarbonate SCHEMBL4535593 | 0.90 | MAOA (0.43) | MAOAMAOBCDC25BIDO1AKT1 | |
| Acetic Acid SCHEMBL7042249 | 0.87 | MAOA (0.40) | MAOAMAOBCDC25BIDO1AKT1 | |
| Hydrochlorthiazide SCHEMBL6010085 | 0.79 | CDC25B (0.33) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL30252240 | 0.77 | CES1 (0.50) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL11337168 | 0.77 | CES1 (0.50) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL20366857 | 0.76 | CDC25B (0.56) | MAOAMAOBCDC25BIDO1AKT1 | |
| SCHEMBL57446 | 0.75 | MAOA (0.46) | MAOAMAOBCDC25BIDO1AKT1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115876920-A | Method for analyzing multiple novel psychoactive substances in food by gas chromatography-mass spectrometry | 三明海关综合技术服务中心 | 2023-03-31 | — | — | CN | disclosed |
| WO-2012054438-A1 | ANTI-PCSK9 | SCHERING CORPORATION (US) | 2012-04-26 | — | — | WO | disclosed |
| CN-1022319-C | 1, 2, 3, 4-tetrahydronaphthalene derivatives, process for their preparation and their use as medicaments | MERRELL DOW PHARMA (US) | 1993-10-06 | — | — | CN | disclosed |
| CN-1013442-B | BICYCLIC COMPOUND PROCESSES FOR PREPN. THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | FUJISAWA PHARMACEUTICAL CO (JP) | 1991-08-07 | — | — | CN | disclosed |
| CN-1044460-A | Novel 1,2,3,4-tetralin derivative | MERRELL DOW PHARMA (US) | 1990-08-08 | — | — | CN | disclosed |
| CN-88102538-A | New dicyclic compound, its preparation method and the pharmaceutical composition that contains this compounds | — | 1988-12-07 | — | — | CN | disclosed |