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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.40 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.40 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.39 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.37 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.35 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 known ✓ | Q9H228 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | RBP4 | P02753 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 2/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4384471 | 0.98 | NPC1 (0.63) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL27573349 | 0.97 | NPC1 (0.62) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL15244373 | 0.85 | NPC1 (0.62) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL6081356 | 0.83 | NPC1 (0.61) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL6776473 | 0.82 | NPC1 (0.59) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL3759581 | 0.82 | POLB (0.59) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL7503700 | 0.82 | NPC1 (0.59) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL27335141 | 0.81 | ALDH1A1 (0.59) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL3692136 | 0.81 | NPC1 (0.58) | NPC1POLBALDH1A1RBP4MAPT | |
| SCHEMBL9018351 | 0.81 | NPC1 (0.58) | NPC1POLBALDH1A1RBP4MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1274683-A2 | HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES | Bayer CropScience GmbH (DE) | 2003-01-15 | — | — | EP | claimed |
| WO-2001070692-A2 | HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES | BAYER CROPSCIENCE GMBH (DE) | 2001-09-27 | — | — | WO | claimed |
| US-7629348-B2 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | MERIAL LIMITED (US) | 2009-12-08 | — | — | US | disclosed |
| US-20080139627-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | BECKMANN MARION | 2008-06-12 | — | — | US | disclosed |
| US-20080097099-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | BECKMANN MARION | 2008-04-24 | — | — | US | disclosed |
| US-7235571-B2 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | MERIAL LIMITED (US) | 2007-06-26 | — | — | US | disclosed |
| US-20050176734-A1 | Method for producing 4-haloalkyl nicotinic acid amides | BAYER CROPSCIENCE AG (DE) | 2005-08-11 | — | — | US | disclosed |
| US-20040192712-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | MERIAL LIMITED | 2004-09-30 | — | — | US | disclosed |
| US-20040167334-A1 | Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides | SHERMOLOVICH YURIY GRIGORIEVIC (UA) | 2004-08-26 | — | — | US | disclosed |
| US-20030119852-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions, comprising them and their use as pesticides | BAYER CROPSCIENCE GMBH (GE) | 2003-06-26 | — | — | US | disclosed |
| CN-1419542-A | Heterocyclic acylsulfimide compounds, process for their preparation, compositions containing them and their use as pesticides | BAYER CROSCIENCE GMBH (DE) | 2003-05-21 | — | — | CN | disclosed |
| EP-1274683-A2 | HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES | Bayer CropScience GmbH (DE) | 2003-01-15 | — | — | EP | disclosed |
| US-20020032328-A1 | Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides | AVENTIS CROPSCIENCE GMBH (DE) | 2002-03-14 | — | — | US | disclosed |
| WO-2001070692-A2 | HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES | BAYER CROPSCIENCE GMBH (DE) | 2001-09-27 | — | — | 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 (7 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-20050176734-A1 | Method for producing 4-haloalkyl nicotinic acid amides | CBR3, CBR1, HCAR3 | GAA 3315/4885ROCK2 4213/4885ROCK1 4447/4885 |
| US-20020032328-A1 | Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides | DDT, PTMS, TMT1A | GAA 2072/4885ROCK2 4475/4885ROCK1 3500/4885 |
| US-20080139627-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | ACHE, DDT, PIR | GAA 2281/4885ROCK2 2858/4885ROCK1 2721/4885 |
| US-20040167334-A1 | Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides | DDT, PTMS, TMT1A | GAA 2072/4885ROCK2 4475/4885ROCK1 3500/4885 |
| US-20040192712-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | ACHE, DDT, PIR | GAA 2427/4885ROCK2 3299/4885ROCK1 1995/4885 |
| US-20030119852-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions, comprising them and their use as pesticides | ACHE, DDT, PIR | GAA 2703/4885ROCK2 3112/4885ROCK1 1796/4885 |
| US-20080097099-A1 | Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides | ACHE, DDT, PIR | GAA 2870/4885ROCK2 2890/4885ROCK1 2703/4885 |
“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.