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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.37 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.37 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.36 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
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 SCHEMBL5099552 | 1.00 | MAPT (0.48) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL27712434 | 1.00 | MAPT (0.48) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL1406081 | 0.99 | MAPT (0.47) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL1406079 | 0.99 | MAPT (0.47) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL5847024 | 0.99 | MAPT (0.47) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Water SCHEMBL5176169 | 0.97 | MAPT (0.46) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Water SCHEMBL5174360 | 0.97 | MAPT (0.46) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Water SCHEMBL5176172 | 0.97 | MAPT (0.46) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Water SCHEMBL5174358 | 0.97 | MAPT (0.46) | MAPTMEN1ALDH1A1KMT2ANPC1 | |
| Water SCHEMBL7801345 | 0.97 | MAPT (0.46) | MAPTMEN1ALDH1A1KMT2ANPC1 |
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-0484966-B1 | 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation | EISAI CO LTD (JP) | 2001-04-11 | — | — | EP | disclosed |
| EP-1074554-A2 | 7-acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation | Eisai Co., Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| EP-1074553-A1 | 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation | Eisai Co., Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| US-5861508-A | PRODUCTION OF A SALT OF 7-(2-(2-AMINOTHIAZOL4-YL)-2-(Z)-HYDROXIMINOACETAMIDO)-3-N,N-DI METHYLCARBAMOYLOXYMETHYL-3-CEPHEM-4-CARBOXYLIC ACID (ISOPROPOXYCARBONYLOXY)ETHYLESTER P-TOLUENE-SULPHONIC ACID | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 1999-01-19 | — | — | US | disclosed |
| US-5741902-A | INTERMEDIATES FOR CEPHEM ANTIBACTERIAL COMPOUNDS | EISAI CO., LTD. (JP) | 1998-04-21 | — | — | US | disclosed |
| US-5659030-A | ANTIBIOTIC DRUG IN CRYSTAL FORM | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 1997-08-19 | — | — | US | disclosed |
| EP-0761671-A1 | Cephem derivatives | Eisai Co., Ltd. (JP) | 1997-03-12 | — | — | EP | disclosed |
| US-5604217-A | CEPHALOSPORIN ANTIBIOTICS | EISAI CO., LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| US-5587473-A | BLOCKING; CONDENSATION; DEBLOCKING | EISAI CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| US-5563265-A | BACTERICIDES | EISAI CO., LTD. (JP) | 1996-10-08 | — | — | US | disclosed |
| US-5559225-A | ANTIBIOTICS | EISAI CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0687676-A1 | Purification of a cephalosporin salt | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 1995-12-20 | — | — | EP | disclosed |
| EP-0484966-A2 | 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation | Eisai Co., Ltd. (JP) | 1992-05-13 | — | — | EP | disclosed |