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 | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 1/20 | 0.43 |
| ▸ | ITGB3 known ✓ | P05106 | 5/20 | 0.39 |
| ▸ | ITGA2B known ✓ | P08514 | 5/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.43 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | F2R | P25116 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.38 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 SCHEMBL27418446 | 1.00 | GNAI3 (0.43) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| SCHEMBL380886 | 0.98 | TSHR (0.44) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| Acetic Acid SCHEMBL7427847 | 0.93 | HTR4 (0.41) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| Hydrochloric Acid SCHEMBL31566883 | 0.89 | SLC6A1 (0.46) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| Hydrochloric Acid SCHEMBL382253 | 0.89 | TSHR (0.47) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| SCHEMBL28054520 | 0.87 | SLC6A1 (0.47) | TSHRHTR4ALOX15KMT2A | |
| SCHEMBL381520 | 0.87 | TSHR (0.48) | GNAI3GNAO1GNAI1TSHRHTR4 | |
| Hydrochloric Acid SCHEMBL14167163 | 0.86 | TSHR (0.52) | TSHRMEN1KMT2AKDM4ELMNA | |
| SCHEMBL7298966 | 0.86 | TSHR (0.47) | GNAI3GNAO1GNAI1TSHRITGB3 | |
| SCHEMBL698490 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200165257-A1 | INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2020-05-28 | — | — | US | disclosed |
| WO-2018237007-A1 | INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-12-27 | — | — | WO | disclosed |
| US-9096524-B2 | Anthelmintic agents and their use | INTERVET INTERNATIONAL B.V. (NL) | 2015-08-04 | — | — | US | disclosed |
| EP-2408742-B1 | ANTHELMINTIC AGENTS AND THEIR USE | INTERVET INT BV (NL) | 2014-09-03 | — | — | EP | disclosed |
| EP-2408742-A1 | ANTHELMINTIC AGENTS AND THEIR USE | Intervet International B.V. (NL) | 2012-01-25 | — | — | EP | disclosed |
| US-20110319393-A1 | ANTHELMINTIC AGENTS AND THEIR USE | INTERVET INTERNATIONAL B.V. (NL) | 2011-12-29 | — | — | US | disclosed |
| WO-2010115688-A1 | ANTHELMINTIC AGENTS AND THEIR USE | INTERVET INTERNATIONAL B.V. (NL) | 2010-10-14 | — | — | WO | disclosed |
| US-20100261710-A1 | HDAC Inhibitors | ARQULE, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-7700591-B2 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO., INC. (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1615699-B1 | BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS | MERCK SHARP & DOHME (US) | 2010-03-24 | — | — | EP | disclosed |
| US-20090181942-A1 | TRICYCLIC COMPOUNDS | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1939205-A1 | TRICYCLIC COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2008-07-02 | — | — | EP | disclosed |
| CN-101166734-A | Novel aminopyridine compounds having Syk inhibitory activity | JAPAN TOBACCO INC (JP) | 2008-04-23 | — | — | CN | disclosed |
| US-20070238723-A1 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | GOBLE STEPHEN D | 2007-10-11 | — | — | US | disclosed |
| US-20060069088-A1 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | MERCK SHARP & DOHME LLC | 2006-03-30 | — | — | US | disclosed |
| EP-1615699-A2 | BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS | Merck & Co., Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004092124-A2 | BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | WO | disclosed |
| CN-1183770-A | Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation | THOMAE GMBH DR K (DE) | 1998-06-03 | — | — | 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 (6 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-20110319393-A1 | ANTHELMINTIC AGENTS AND THEIR USE | ACHE, ABCB11, MPO | HTR4 2934/4885ITGB3 3524/4885ITGA2B 4406/4885 |
| US-20060069088-A1 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | CCR1, CCR2, CCRL2 | HTR4 915/4885ITGB3 2557/4885ITGA2B 1670/4885 |
| US-20100261710-A1 | HDAC Inhibitors | HDAC5, HDAC1, HDAC4 | HTR4 2421/4885ITGB3 2374/4885ITGA2B 1356/4885 |
| US-20200165257-A1 | INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER | HDAC1, HDAC3, HDAC4 | HTR4 1702/4885ITGB3 2133/4885ITGA2B 3548/4885 |
| US-20070238723-A1 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | CCR1, CCR2, CCRL2 | HTR4 915/4885ITGB3 2557/4885ITGA2B 1670/4885 |
| US-20090181942-A1 | TRICYCLIC COMPOUNDS | FDFT1, COASY, HMGCR | HTR4 3174/4885ITGB3 4848/4885ITGA2B 4875/4885 |
“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.