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 | |
|---|---|---|---|---|
| ▸ | PRKCA known ✓ | P17252 | 2/20 | 0.36 |
| ▸ | PRKCD known ✓ | Q05655 | 2/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 SCHEMBL4695058 | 0.90 | DGAT1 (0.36) | DGAT1PRKCAPRKCDPRSS1PRSS2 | |
| SCHEMBL18869061 | 0.79 | PRSS1 (0.48) | DGAT1PRSS1PRSS2PRSS3CA2 | |
| SCHEMBL12103913 | 0.78 | DGAT1 (0.51) | DGAT1PRSS1PRSS2PRSS3CYP4F2 | |
| Hydrochloric Acid SCHEMBL17512889 | 0.74 | DGAT1 (0.60) | DGAT1PRSS1PRSS2PRSS3CA2 | |
| Hydrochloric Acid SCHEMBL20766398 | 0.74 | DGAT1 (0.60) | DGAT1PRSS1PRSS2PRSS3CA2 | |
| Hydrochloric Acid SCHEMBL4220725 | 0.74 | DGAT1 (0.51) | DGAT1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL2494313 | 0.74 | ESR1 (0.43) | DGAT1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL3131879 | 0.74 | CYP4F2 (0.49) | DGAT1PRSS1PRSS2PRSS3CYP4F2 | |
| Hydrochloric Acid SCHEMBL2330251 | 0.73 | TDP1 (0.47) | DGAT1ACHEMAPT | |
| Hydrochloric Acid SCHEMBL3138053 | 0.73 | SMN1; SMN2 (0.49) | DGAT1PRSS1PRSS2PRSS3MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1463501-B1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | disclosed |
| EP-1463501-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6617346-B1 | Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity | HOFFMANN-LA ROCHE INC. | 2003-09-09 | — | — | US | disclosed |
| WO-2003051360-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | WO | disclosed |