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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.41 |
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL283962 | 0.98 | CES2 (0.54) | CES2CES1TDP1ALBMMP2 | |
| Hydrochloric Acid SCHEMBL7968059 | 0.84 | CES2 (0.64) | CES2CES1TDP1ALBCA12 | |
| SCHEMBL1000014 | 0.82 | MMP2 (0.54) | TDP1MMP2CA12CA1CA2 | |
| SCHEMBL260553 | 0.82 | CES2 (0.67) | CES2CES1TDP1ALBCA12 | |
| SCHEMBL164708 | 0.81 | CES2 (0.54) | CES2CES1TDP1PREPCRBN | |
| Aspartic Acid SCHEMBL27543035 | 0.81 | ITGB2 (0.43) | CES2CES1TDP1PREPITGB2 | |
| SCHEMBL8956410 | 0.80 | GAA (0.55) | CES2CES1TDP1NPC1RAB9A | |
| SCHEMBL3117223 | 0.80 | CES2 (0.64) | CES2CES1TDP1ALBCA12 | |
| SCHEMBL14454258 | 0.79 | CES2 (0.52) | CES2CES1TDP1PREPCRBN | |
| SCHEMBL4089662 | 0.79 | CES2 (0.52) | CES2CES1TDP1PREPCRBN |
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 |
|---|---|---|---|---|---|---|---|
| US-4363762-A | Process for preparing imidazodiazepines | HOFFMANN-LA ROCHE INC. (US) | 1982-12-14 | — | — | US | disclosed |
| US-4359420-A | HYPOTENSIVE AGENT, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1982-11-16 | — | — | US | disclosed |
| US-4346034-A | Process for preparing imidazodiazepines | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346032-A | ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346030-A | ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346035-A | Process for preparing imidazodiazepines | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346031-A | Process for preparing imidazodiazepines | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346036-A | ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4346033-A | Thienodiazepinone and benzodiazepinone intermediates | HOFFMANN-LA ROCHE INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4316839-A | Imidazodiazepine derivatives | HOFFMAN-LA ROCHE INC. (US) | 1982-02-23 | — | — | US | disclosed |
| EP-0027214-A1 | Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-04-22 | — | — | EP | disclosed |