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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.52 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.51 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | KDM5C | P41229 | 1/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.50 |
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 SCHEMBL27587923 | 1.00 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL30163937 | 1.00 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL29250334 | 0.98 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL4903097 | 0.98 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL17485679 | 0.98 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL209471 | 0.98 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL3383287 | 0.97 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| Piperazine SCHEMBL28106509 | 0.97 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL3432550 | 0.97 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 | |
| SCHEMBL3387061 | 0.97 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1ALOX15TSHRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496230-B1 | IRE-1 ALPHA INHIBITORS | FOSUN ORINOVE PHARMATECH INC (CN) | 2020-02-26 | — | — | EP | 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-9493435-B2 | IRE-1α inhibitors | MANNKING CORPORATION (US) | 2016-11-15 | — | — | US | disclosed |
| CN-102762549-B | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-05-27 | — | — | CN | disclosed |
| US-8912329-B2 | Composition for treatment of tuberculosis | BioVersys AG (CH) | 2014-12-16 | — | — | US | disclosed |
| CN-102458393-B | Composition for treatment of tuberculosis | BIOVERSYS GMBH | 2014-08-20 | — | — | CN | disclosed |
| CN-102762549-A | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-10-31 | — | — | CN | disclosed |
| US-20120270877-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2012-10-25 | — | — | US | disclosed |
| CN-102724975-A | IRE-1 alpha inhibitors | MANNKIND CORP | 2012-10-10 | — | — | CN | disclosed |
| EP-2496230-A1 | IRE-1 ALPHA INHIBITORS | MannKind Corporation (US) | 2012-09-12 | — | — | EP | disclosed |
| CN-102458393-A | Composition for treating pulmonary tuberculosis | BIOVERSYS GMBH | 2012-05-16 | — | — | CN | disclosed |
| EP-2445495-A1 | COMPOSITION FOR TREATMENT OF TUBERCULOSIS | Bioversys AG (CH) | 2012-05-02 | — | — | EP | disclosed |
| US-20120101080-A1 | COMPOSITION FOR TREATMENT OF TUBERCULOSIS | BioVersys AG (CH) | 2012-04-26 | — | — | US | disclosed |
| CN-102372698-A | Phthalazinone derivative and its preparation method and use in medicine | JIANGSU HENGRUI MEDICINE CO | 2012-03-14 | — | — | CN | disclosed |
| WO-2011056744-A1 | IRE-1 α INHIBITORS | MANNKIND CORPORATION (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2010149761-A1 | COMPOSITION FOR TREATMENT OF TUBERCULOSIS | BIOVERSYS GMBH (CH) | 2010-12-29 | — | — | 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-20120101080-A1 | COMPOSITION FOR TREATMENT OF TUBERCULOSIS | PRMT7, NCOA3, PRMT3 | SIGMAR1 989/4885SLC6A4 3746/4885DDB1 3948/4885 |
| US-20180072745-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | SIGMAR1 1480/4885SLC6A4 4354/4885DDB1 266/4885 |
| US-20120270877-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | SIGMAR1 1480/4885SLC6A4 4354/4885DDB1 266/4885 |
| US-20170166576-A1 | IRE-1alpha INHIBITORS | XBP1, ERN1, ATF4 | SIGMAR1 1480/4885SLC6A4 4354/4885DDB1 266/4885 |
“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.