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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.65 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.63 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.59 |
| ▸ | DRD4 known ✓ | P21917 | 3/20 | 0.59 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.59 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.62 |
| ▸ | BACE1 | P56817 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
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 SCHEMBL2673764 | 1.00 | ACHE (0.65) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL27529844 | 0.98 | ACHE (0.62) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL42207 | 0.98 | ACHE (0.67) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Methylene Chloride SCHEMBL27437437 | 0.94 | ACHE (0.62) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL1061618 | 0.91 | ACHE (0.59) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Isopropylamine SCHEMBL7081467 | 0.90 | ACHE (0.62) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Piperazine SCHEMBL3435125 | 0.90 | SIGMAR1 (0.66) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL2905438 | 0.89 | ACHE (0.56) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL20183286 | 0.89 | ACHE (0.56) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL697482 | 0.89 | ACHE (0.56) | ACHESIGMAR1CCR3DRD2DRD4 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101068794-B | Quinazolines useful as modulators of ion channels | VERTEX PHARMA | 2012-12-19 | — | — | CN | disclosed |
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |
| US-7928107-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-19 | — | — | US | disclosed |
| US-7745413-B2 | Collection of traceable compounds and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2010-06-29 | — | — | US | disclosed |
| US-20090312342-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2009-12-17 | — | — | US | disclosed |
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20080176763-A1 | Collection of Traceable Compounds and Uses Thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2008-07-24 | — | — | US | disclosed |
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-08-03 | — | — | US | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |
| EP-0029707-B1 | NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KYOWA HAKKO KOGYO CO., LTD (JP) | 1984-02-01 | — | — | EP | disclosed |
| US-4390536-A | HYPOTENSIVE AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1983-06-28 | — | — | US | disclosed |
| US-4344948-A | HYPOTENSIVE AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1982-08-17 | — | — | US | disclosed |
| US-4344945-A | HYPOTENSIVE AGENTS, BENZOXAZINYL DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1982-08-17 | — | — | US | disclosed |
| US-4289772-A | PHOSPHODIESTERASE INHIBITORS | PFIZER INC. (US) | 1981-09-15 | — | — | US | disclosed |
| EP-0029707-A1 | Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them | KYOWA HAKKO KOGYO CO., LTD (JP) | 1981-06-03 | — | — | EP | disclosed |
| US-4242347-A | Hypotensive indolylalkylpiperidyl guanidines and isoureas | CIBA-GEIGY CORPORATION (US) | 1980-12-30 | — | — | US | disclosed |
| US-4147786-A | HYPOTENSIVE | CIBA-GEIGY CORPORATION (US) | 1979-04-03 | — | — | US | disclosed |
| US-4073911-A | ANTIHYPERTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1978-02-14 | — | — | 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-20090312342-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | ACHE 317/4885SIGMAR1 1018/4885DRD2 1887/4885 |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | ACHE 317/4885SIGMAR1 1018/4885DRD2 1887/4885 |
“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.