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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.38 |
| ▸ | BCHE known ✓ | P06276 | 2/20 | 0.38 |
| ▸ | GAA known ✓ | P10253 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9582877 | 0.99 | KIF11 (0.41) | KIF11MAPTLMNASMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9581707 | 0.83 | LTA4H (0.42) | KIF11MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL11305188 | 0.81 | LTA4H (0.44) | KIF11MAPTLMNASMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9582798 | 0.80 | MAPT (0.40) | MAPTLMNASMN1; SMN2ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL9582760 | 0.79 | SMN1; SMN2 (0.43) | KIF11SMN1; SMN2MAPK1CYP1A2CYP3A4 | |
| SCHEMBL9583057 | 0.79 | MAPT (0.40) | MAPTLMNASMN1; SMN2ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL9582348 | 0.78 | KIF11 (0.44) | KIF11SMN1; SMN2ACHEBCHEL3MBTL1 | |
| SCHEMBL9583022 | 0.77 | SMN1; SMN2 (0.44) | KIF11LMNASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL9583489 | 0.76 | KIF11 (0.46) | KIF11MAPTSMN1; SMN2ACHEBCHE | |
| SCHEMBL8976443 | 0.76 | SLC6A2 (0.46) | KIF11MAPTLMNASMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5260339-A | 4-phenyl-1,3-benzodiazepines and 2-amino-α-phenylphenethylamines for treating convulsions and protecting neurons | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-11-09 | — | — | US | disclosed |
| US-5185465-A | Carboxamides of 2-amino-alpha-phenlphenethylamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-09 | — | — | US | disclosed |
| US-4968721-A | 2-amino-alpha-phenylphenethylamines and method of use | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-11-06 | — | — | US | disclosed |
| US-4933493-A | Intermediates for the preparation of 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-12 | — | — | US | disclosed |
| US-4855502-A | CHEMICAL INTERMEDIATES FOR 1,3-BENZODIAZEPINES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4822914-A | 2-amino-N-methyl-α-phenyl-phenethylamines | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-04-18 | — | — | US | disclosed |
| US-RE32444-E | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-23 | — | — | US | disclosed |
| EP-0057870-B1 | N-OPTIONELLY SUBSTITUTED-2-AMINO-ALPHA-PHENYLPHENETHYLAMINES AND A METHOD FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-07-31 | — | — | EP | disclosed |
| US-4504680-A | 4-Phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-03-12 | — | — | US | disclosed |
| US-4469889-A | 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-09-04 | — | — | US | disclosed |
| US-4462933-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-31 | — | — | US | disclosed |
| US-4459231-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-10 | — | — | US | disclosed |
| US-4459230-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-10 | — | — | US | disclosed |
| US-4409145-A | OXIMINATION, ESTERIFICATION, REDUCTION | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1983-10-11 | — | — | US | disclosed |
| EP-0009800-B1 | 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-02-23 | — | — | EP | disclosed |
| EP-0057870-A1 | N-optionelly substituted-2-amino-alpha-phenylphenethylamines and a method for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-08-18 | — | — | EP | disclosed |
| US-4309424-A | 4-Phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-01-05 | — | — | US | disclosed |
| EP-0009800-A2 | 4-Phenyl-1,3-benzodiazepines, method for their preparation, pharmaceutical compositions containing them, and the compounds for use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-04-16 | — | — | EP | disclosed |