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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.54 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL742971 | 0.98 | HRH1 (0.56) | HRH1LOXL2HRH3HRH4NAAA | |
| Hydrochloric Acid SCHEMBL2892360 | 0.93 | HRH1 (0.57) | HRH1LOXL2HRH3HRH4NAAA | |
| SCHEMBL2959972 | 0.91 | HRH1 (0.59) | HRH1LOXL2HRH3HRH4NAAA | |
| SCHEMBL9466820 | 0.88 | HRH1 (0.63) | HRH1LOXL2HRH3HRH4NAAA | |
| SCHEMBL7417903 | 0.88 | HRH1 (0.63) | HRH1LOXL2HRH3HRH4NAAA | |
| Hydrochloric Acid SCHEMBL1677468 | 0.85 | LOXL2 (0.54) | HRH1LOXL2HRH3HRH4ALDH1A1 | |
| SCHEMBL2551287 | 0.82 | — | — | |
| SCHEMBL726645 | 0.82 | HRH1 (0.73) | HRH1LOXL2HRH3HRH4NAAA | |
| SCHEMBL351920 | 0.82 | HRH1 (0.65) | HRH1LOXL2HRH3HRH4NAAA | |
| SCHEMBL10386360 | 0.80 | HRH1 (0.53) | HRH1NAAAALDH1A1MAPTCYP3A4 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102812014-B | The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof | DOMAIN THERAPEUTICS (FR) | 2016-01-20 | — | — | CN | disclosed |
| US-8962627-B2 | Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | PRESTWICK CHEMICAL, INC. (FR) | 2015-02-24 | — | — | US | disclosed |
| EP-2493871-B1 | NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | DOMAIN THERAPEUTICS (FR) | 2014-09-03 | — | — | EP | disclosed |
| US-20120277212-A1 | Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors | PRESTWICK CHEMICAL, INC. (FR) | 2012-11-01 | — | — | US | disclosed |
| EP-2493871-A1 | NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Domain Therapeutics (FR) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051478-A1 | NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | DOMAIN THERAPEUTICS (FR) | 2011-05-05 | — | — | WO | disclosed |
| CN-1133625-C | Quinazoline derivatives | — | 2004-01-07 | — | — | CN | disclosed |
| EP-0674623-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| CN-1041921-C | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORP (US) | 1999-02-03 | — | — | CN | disclosed |
| CN-1205694-A | Quinazoline derivatives | ZENECA LTD (GB) | 1999-01-20 | — | — | CN | disclosed |
| EP-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| CN-1094718-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORP (US) | 1994-11-09 | — | — | CN | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |
| EP-0235752-B1 | Piperidine derivative, pharmaceutical composition containing the same and use | EISAI CO LTD (JP) | 1993-11-18 | — | — | EP | disclosed |
| CN-1019973-C | Piperidine derivative and pharmaceutical composition containing the same | EISAI CO LTD (JP) | 1993-03-03 | — | — | CN | disclosed |
| EP-0235752-A2 | Piperidine derivative, pharmaceutical composition containing the same and use | Eisai Co., Ltd. (JP) | 1987-09-09 | — | — | EP | disclosed |
| CN-87100928-A | Piperidine derivatives and pharmaceutical compositions thereof | — | 1987-09-09 | — | — | CN | 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 (1 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-20120277212-A1 | Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors | GRM4, GRM1, GRM2 | HRH1 805/4885HRH3 837/4885LOXL2 2392/4885 |
“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.