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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.61 |
| ▸ | DPP4 known ✓ | P27487 | 3/20 | 0.48 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | CPB1 | P15086 | 2/20 | 0.50 |
| ▸ | TLR4 | O00206 | 1/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
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 SCHEMBL2854037 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GAATSHREPHX1CTSL | |
| Hydrochloric Acid SCHEMBL243635 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL240038 | 0.99 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL240039 | 0.99 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL2901586 | 0.99 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CTSL | |
| Hydrochloric Acid SCHEMBL5234327 | 0.92 | EPHX1 (0.60) | ALDH1A1GAATSHREPHX1CTSL | |
| Hydrochloric Acid SCHEMBL605486 | 0.92 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1CTSL | |
| Trifluoroacetic Acid SCHEMBL952786 | 0.91 | ALDH1A1 (0.55) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL963963 | 0.91 | EPHX1 (0.61) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL3316063 | 0.91 | EPHX1 (0.61) | ALDH1A1GAATSHREPHX1CTSL |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |
| US-8318750-B2 | Organic compounds | NOVARTIS AG (NL) | 2012-11-27 | — | — | US | disclosed |
| US-8258141-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-09-04 | — | — | US | disclosed |
| EP-1805181-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| US-8163754-B2 | inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide | NOVARTIS AG (CH) | 2012-04-24 | — | — | US | disclosed |
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20120004212-A1 | ORGANIC COMPOUNDS | NOVARTIS AG | 2012-01-05 | — | — | US | disclosed |
| US-20120004247-A1 | ORGANIC COMPOUNDS | NOVARTIS AG | 2012-01-05 | — | — | US | disclosed |
| EP-2322525-A1 | Purine derivatives for use as adenosin A2A receptor agonists | Novartis AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| EP-2292619-A1 | Purine derivatives for use as adenonsin A-2A receptor agonists | Novartis AG (CH) | 2011-03-09 | — | — | EP | disclosed |
| EP-2012760-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| US-20080300413-A1 | Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof | SINO-MED INTERNATIONAL ALLIANCE, INC. | 2008-12-04 | — | — | US | disclosed |
| WO-2008109681-A2 | METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS | PHENOMIX CORPORATION (US) | 2008-09-12 | — | — | WO | disclosed |
| US-20080200483-A1 | Purine Derivatives for Use as Adenosin A-2A Receptor Agonists | NOVARTIS AG (CH) | 2008-08-21 | — | — | US | disclosed |
| EP-1919485-A1 | METHODS OF PREPARING HETERCYCLIC BORONIC ACIDS AND DERIVATIVES THEREOF | Phenomix Corporation (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007121921-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007016356-A1 | METHODS OF PREPARING HETERCYCLIC BORONIC ACIDS AND DERIVATIVES THEREOF | PHENOMIX CORPORATION (US) | 2007-02-08 | — | — | WO | disclosed |
| EP-1311501-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014308-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 2002-02-21 | — | — | 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 (4 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-20080300413-A1 | Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof | HLCS, NISCH, BTD | GAA 2580/4885DPP4 1428/4885KCNH2 40/4885 |
| US-20080200483-A1 | Purine Derivatives for Use as Adenosin A-2A Receptor Agonists | ADORA2A, ADORA1, ADORA3 | GAA 3122/4885DPP4 3706/4885KCNH2 3468/4885 |
| US-20120004212-A1 | ORGANIC COMPOUNDS | CYP3A43, SLCO1B3, CYP2C19 | GAA 916/4885DPP4 1446/4885KCNH2 1165/4885 |
| US-20120004247-A1 | ORGANIC COMPOUNDS | CYP3A43, SLCO1B3, CYP2C19 | GAA 916/4885DPP4 1446/4885KCNH2 1165/4885 |
“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.