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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | SOD3 | P08294 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4369887 | 0.98 | CXCR4 (0.46) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL10729611 | 0.86 | POLB (0.41) | CXCR4SIGMAR1CHRM5CHRM3POLB | |
| Hydrochloric Acid SCHEMBL1547051 | 0.83 | CXCR4 (0.46) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL15735731 | 0.83 | CXCR4 (0.46) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL1023067 | 0.81 | CXCR4 (0.47) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL9174083 | 0.80 | CXCR4 (0.43) | CXCR4SIGMAR1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL5865342 | 0.79 | CXCR4 (0.46) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1899200 | 0.79 | CXCR4 (0.46) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL31457403 | 0.79 | PAOX (0.44) | GNAO1GNAI3GNAI1SIGMAR1SMN1; SMN2 | |
| SCHEMBL1647095 | 0.77 | CXCR4 (0.47) | CXCR4SIGMAR1CHRM2CHRM4CHRM5 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960368-B1 | 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2015-05-06 | — | — | EP | disclosed |
| US-8513239-B2 | Chiral cis-imidazolines | HOFFMANN-LA ROCHE INC. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2203437-B1 | CHIRAL CIS-IMIDAZOLINES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |
| EP-2325180-A1 | Chiral CIS-imidazolines | F. Hoffmann-La Roche AG (CH) | 2011-05-25 | — | — | EP | disclosed |
| EP-2311814-A1 | 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents | F. Hoffmann-La Roche AG (CH) | 2011-04-20 | — | — | EP | disclosed |
| US-7851626-B2 | 4,4,5,5, tetrasubstituted imidazolines | HOFFMANN-LA ROCHE INC. (US) | 2010-12-14 | — | — | US | disclosed |
| EP-2203437-A1 | CHIRAL CIS-IMIDAZOLINES | F. Hoffmann-Roche AG (CH) | 2010-07-07 | — | — | EP | disclosed |
| EP-2130822-A1 | 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents | F. Hoffmann-La Roche AG (CH) | 2009-12-09 | — | — | EP | disclosed |
| US-20090111789-A1 | CHIRAL CIS-IMIDAZOLINES | HOFFMANN-LA ROCHE, INC. | 2009-04-30 | — | — | US | disclosed |
| WO-2009047161-A1 | CHIRAL CIS-IMIDAZOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-16 | — | — | WO | disclosed |
| EP-1960368-A1 | 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS | F. Hoffmann-la Roche AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| US-20070129416-A1 | 4,4,5,5, Tetrasubstituted imidazolines | DING QINGJIE | 2007-06-07 | — | — | US | disclosed |
| WO-2007063013-A1 | 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | 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 (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-20090111789-A1 | CHIRAL CIS-IMIDAZOLINES | FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | SIGMAR1 408/4885CHRM2 583/4885CHRM4 2221/4885 |
| US-20070129416-A1 | 4,4,5,5, Tetrasubstituted imidazolines | RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | SIGMAR1 1615/4885CHRM2 3482/4885CHRM4 2157/4885 |
“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.