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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | PDE2A | O00408 | 3/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3161607 | 0.98 | ALDH1A1 (0.53) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL28994164 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| Hydrochloric Acid SCHEMBL6578052 | 0.80 | MRGPRX4 (0.38) | ALDH1A1MAPTPDE2AACHEMEN1 | |
| SCHEMBL2835173 | 0.79 | KIF11 (0.41) | ALDH1A1MAPTPDE2AKIF11MCL1 | |
| SCHEMBL11414327 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL1768902 | 0.77 | ALDH1A1 (0.54) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL1132575 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL24106554 | 0.73 | PDE2A (0.53) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL10238280 | 0.73 | ALDH1A1 (0.50) | ALDH1A1MAPTPDE2AKIF11CA12 | |
| SCHEMBL9666698 | 0.72 | KMT2A (0.41) | KMT2APOLBNPSR1GAA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094906-B2 | Processes for preparing pesticidal intermediates | Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) | 2006-08-22 | — | — | US | disclosed |
| EP-1073627-B1 | PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES | BAYER AGRICULTURE LTD (GB) | 2004-12-01 | — | — | EP | disclosed |
| US-20040198985-A1 | Processes for preparing pesticidal intermediates | AVENTIS AGRICULTURE LTD. (GB) | 2004-10-07 | — | — | US | disclosed |
| US-6673956-B2 | INTERMEDIATES (PARTICULARLY 2-(ARYLHYDRAZINO)SUCCINONITRILE COMPOUNDS AND 3-(ARYLHYDRAZONO)PROPIONITRILE DERIVATIVES FOR PESTICIDES, BY REACTING DIALKOXYPROPIONITRILE WITH AN ACID ADDITION SALT OF ARYLHYDRAZINE | AVENTIS AGRICULTURE LTD. (GB) | 2004-01-06 | — | — | US | disclosed |
| EP-0952144-B1 | Processes for preparing pesticidal intermediates | BAYER AGRICULTURE LTD (GB) | 2003-06-18 | — | — | EP | disclosed |
| US-20020128485-A1 | Processes for preparing pesticidal intermediates | MERIAL LIMITED | 2002-09-12 | — | — | US | disclosed |
| US-6392081-B1 | REACTING A NITRILE COMPOUND CONTAINING ACTAL GROUPS WITH ARYLHYDRAZINE; OXIDATION | AVENTIS AGRICULTURE LTD. (GB) | 2002-05-21 | — | — | US | disclosed |
| EP-0952144-A1 | Processes for preparing pesticidal intermediates | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-10-27 | — | — | EP | disclosed |
| US-4820847-A | Process for the preparation of 4-substituted 1-aryl-5-amino-pyrazoles | BAYER AKTIENGESELLSCHAFT (DE) | 1989-04-11 | — | — | US | disclosed |
| US-4810720-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-07 | — | — | US | 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 (2 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-20040198985-A1 | Processes for preparing pesticidal intermediates | SFXN3, SFXN1, CYP4F3 | CA2 1358/4885ACHE 70/4885GAA 4661/4885 |
| US-20020128485-A1 | Processes for preparing pesticidal intermediates | CBR3, HCN1, SF3A3 | CA2 1310/4885ACHE 103/4885GAA 4790/4885 |
“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.