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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.45 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.38 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.36 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.35 |
| ▸ | SLC6A1 known ✓ | P30531 | 1/20 | 0.35 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.35 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
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 SCHEMBL3948434 | 1.00 | EPHX1 (0.48) | EPHX1ATMKCNH2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL22655490 | 1.00 | EPHX1 (0.48) | EPHX1ATMKCNH2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28300547 | 1.00 | EPHX1 (0.48) | EPHX1ATMKCNH2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL30998361 | 1.00 | EPHX1 (0.48) | EPHX1ATMKCNH2KDM4EALDH1A1 | |
| SCHEMBL39851 | 0.98 | — | — | |
| SCHEMBL39918 | 0.98 | — | — | |
| SCHEMBL39850 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL30636640 | 0.88 | MAPK1 (0.49) | EPHX1ATMKDM4EALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL1523932 | 0.87 | EPHX1 (0.64) | EPHX1ATMKDM4EALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL27873710 | 0.87 | EPHX1 (0.64) | EPHX1ATMKDM4EALDH1A1POLB |
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-117886814-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-108368090-B | Compounds as immunomodulators | 百时美施贵宝公司 | 2022-04-12 | — | — | CN | disclosed |
| EP-3717486-A1 | PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) | Janssen Sciences Ireland Unlimited Company (IE) | 2020-10-07 | — | — | EP | disclosed |
| US-10745382-B2 | Compounds useful as immunomodulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-18 | — | — | US | disclosed |
| EP-2496230-B1 | IRE-1 ALPHA INHIBITORS | FOSUN ORINOVE PHARMATECH INC (CN) | 2020-02-26 | — | — | EP | disclosed |
| EP-3362443-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | Bristol-Myers Squibb Company (US) | 2018-08-22 | — | — | EP | disclosed |
| CN-108368090-A | Compounds as Immunomodulators | 百时美施贵宝公司 | 2018-08-03 | — | — | CN | disclosed |
| US-20180072745-A1 | IRE-1alpha INHIBITORS | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2018-03-15 | — | — | US | disclosed |
| US-9856266-B2 | IRE-1alpha inhibitors | SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) | 2018-01-02 | — | — | US | disclosed |
| US-20170166576-A1 | IRE-1alpha INHIBITORS | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2017-06-15 | — | — | US | disclosed |
| US-20170107202-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2017-04-20 | — | — | US | disclosed |
| WO-2017066227-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-20 | — | — | WO | disclosed |
| US-9493435-B2 | IRE-1α inhibitors | MANNKING CORPORATION (US) | 2016-11-15 | — | — | US | disclosed |
| CN-102724975-B | IRE-1 alpha inhibitors | MANNKIND CORP. (US) | 2015-12-02 | — | — | CN | disclosed |
| US-20120270877-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2012-10-25 | — | — | US | disclosed |
| EP-2496230-A1 | IRE-1 ALPHA INHIBITORS | MannKind Corporation (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011056744-A1 | IRE-1 α INHIBITORS | MANNKIND CORPORATION (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | 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 (5 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-10745382-B2 | Compounds useful as immunomodulators | CD74, HLA-DRB1, CD47 | KCNH2 4856/4885OPRK1 3135/4885DRD4 4175/4885 |
| US-20180072745-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | KCNH2 4133/4885OPRK1 2468/4885DRD4 4845/4885 |
| US-20120270877-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | KCNH2 4133/4885OPRK1 2468/4885DRD4 4845/4885 |
| US-20170107202-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | CD74, HLA-DRB1, CD47 | KCNH2 4856/4885OPRK1 3135/4885DRD4 4175/4885 |
| US-20170166576-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | KCNH2 4133/4885OPRK1 2468/4885DRD4 4845/4885 |
“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.