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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8247860 | 0.98 | KDM4E (0.57) | KDM4EPRSS1PRSS2PRSS3NQO1 | |
| Hydrochloric Acid SCHEMBL2769841 | 0.90 | KDM4E (0.45) | KDM4EHIF1ATSHRCYP3A4ALDH1A1 | |
| SCHEMBL8241976 | 0.89 | KDM4E (0.46) | KDM4EHIF1ATSHRALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL4674436 | 0.88 | KDM4E (0.44) | KDM4EPRSS1PRSS2PRSS3NQO1 | |
| Hydrochloric Acid SCHEMBL4698034 | 0.84 | TSHR (0.43) | KDM4ETSHRCYP3A4SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL4676897 | 0.82 | ALDH1A1 (0.50) | CYP3A4ALDH1A1SMN1; SMN2HPGDHTT | |
| Hydrochloric Acid SCHEMBL4676927 | 0.81 | KDM4E (0.37) | KDM4ETSHRCYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4697925 | 0.80 | MTNR1A (0.41) | KDM4ETSHRALDH1A1CYP1A2HPGD | |
| Hydrochloric Acid SCHEMBL4696944 | 0.80 | CYP2C19 (0.46) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL5370205 | 0.79 | MAOB (0.51) | HIF1AALDH1A1CYP1A2MAPK1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1643989-B1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-04-28 | — | — | EP | disclosed |
| EP-1458380-B1 | CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |
| US-7132421-B2 | CIS-imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2006-11-07 | — | — | US | disclosed |
| EP-1643989-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002575-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |
| US-20040259867-A1 | CIS-imidazoles | FOTOUHI NADER (US) | 2004-12-23 | — | — | US | disclosed |
| US-20040204410-A1 | CIS-imidazolines | KONG NORMAN (US) | 2004-10-14 | — | — | US | disclosed |
| EP-1458380-A1 | CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-09-22 | — | — | EP | disclosed |
| US-6734302-B2 | SUCH AS 1-(4,5-BIS-(4-CHLORO-PHENYL)-2-(2,4-DIMETHOXY-PHENYL)-4,5-DIHYDRO-IMIDAZOL-1-YL)-2-METHYL-PROPAN-1-ONE WHICH INHIBITS THE INTERACTION OF MDM2 PROTEIN WITH P53-LIKE PEPTIDE; ANTIPROLIFERATIVE AGENTS | HOFFMANN-LA ROCHE INC. | 2004-05-11 | — | — | US | disclosed |
| US-20030153580-A1 | Such as 1-(4,5-Bis-(4-chloro-phenyl)-2-(2,4-dimethoxy-phenyl)-4,5-dihydro-imidazol-1-yl)-2-methyl-propan-1-one which inhibits the interaction of MDM2 protein with p53-like peptide; antiproliferative agents | KONG NORMAN (US) | 2003-08-14 | — | — | US | disclosed |
| WO-2003051359-A1 | CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | 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 (3 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-20030153580-A1 | Such as 1-(4,5-Bis-(4-chloro-phenyl)-2-(2,4-dimethoxy-phenyl)-4,5-dihydro-imidazol-1-yl)-2-methyl-propan-1-one which inhibits the interaction of MDM2 protein with p53-like peptide; antiproliferative agents | TP53, MDM2, TP53BP1 | ADRA2A 4375/4885KDM4E 2358/4885PRSS1 1059/4885 |
| US-20040259867-A1 | CIS-imidazoles | TP53, MDM2, TP53BP1 | ADRA2A 4412/4885KDM4E 3729/4885PRSS1 458/4885 |
| US-20040204410-A1 | CIS-imidazolines | TP53, MDM2, TP53BP1 | ADRA2A 4442/4885KDM4E 4163/4885PRSS1 1126/4885 |
“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.