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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.38 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1509491 | 0.98 | TSHR (0.96) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL25787534 | 0.90 | TSHR (0.81) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL12605246 | 0.87 | TSHR (0.77) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL16579956 | 0.87 | TSHR (0.77) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL3811219 | 0.86 | TSHR (0.76) | TSHRCYP2D6CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL10263070 | 0.86 | TSHR (0.76) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL4070889 | 0.84 | TSHR (0.72) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL9851688 | 0.84 | TSHR (0.72) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL22663692 | 0.80 | TSHR (0.67) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL2566507 | 0.79 | TSHR (0.66) | TSHRCYP2D6CYP3A4CYP1A2ALDH1A1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5097032-A | Quinoline- and naphthyridine carboxylic acids, salts | WARNER-LAMBERT COMPANY (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0265230-B1 | SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS | WARNER-LAMBERT COMPANY (US) | 1992-01-08 | — | — | EP | disclosed |
| EP-0172651-B1 | Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds | WARNER-LAMBERT COMPANY (US) | 1990-02-07 | — | — | EP | disclosed |
| US-4822801-A | 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1989-04-18 | — | — | US | disclosed |
| EP-0174077-B1 | -9-FLUORO-6,7-DIHYDRO-5-METHYL-1-OXO-8-SUBSTITUTED-1H,5H, BENZO(IJ)-QUINOZILINE-2-CARBOXYLIC ACIDS; THEIR DERIVATIVES; AND PROCESSES FOR PRODUCING THE COMPOUNDS | WARNER-LAMBERT COMPANY (US) | 1989-01-11 | — | — | EP | disclosed |
| US-4777175-A | (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-10-11 | — | — | US | disclosed |
| US-4771054-A | QUINOLINE CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0106489-B1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-07-27 | — | — | EP | disclosed |
| EP-0265230-A1 | Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds | WARNER-LAMBERT COMPANY (US) | 1988-04-27 | — | — | EP | disclosed |
| US-4665079-A | QUINOLINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1987-05-12 | — | — | US | disclosed |
| US-4638067-A | NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS | WARNER-LAMBERT CO. (US) | 1987-01-20 | — | — | US | disclosed |
| US-4604401-A | QUINOLINE-CARBOXYLIC ACIDS | WARNER-LAMBERT COMPANY (US) | 1986-08-05 | — | — | US | disclosed |
| EP-0174077-A1 | -9-fluoro-6,7-dihydro-5-methyl-1-oxo-8-substituted-1H,5H, benzo(ij)-quinoziline-2-carboxylic acids; their derivatives; and processes for producing the compounds | WARNER-LAMBERT COMPANY (US) | 1986-03-12 | — | — | EP | disclosed |
| EP-0172651-A1 | Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds | WARNER-LAMBERT COMPANY (US) | 1986-02-26 | — | — | EP | disclosed |
| EP-0169710-A2 | 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds | WARNER-LAMBERT COMPANY (US) | 1986-01-29 | — | — | EP | disclosed |
| US-4550103-A | Antibacterial 1-oxo-benzoquinolizine-2-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1985-10-29 | — | — | US | disclosed |
| US-4550104-A | Antibacterial thiazolo-quinolines and thiazolo-naphthyridines | WARNER-LAMBERT COMPANY (US) | 1985-10-29 | — | — | US | disclosed |
| EP-0153163-A2 | 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds | WARNER-LAMBERT COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| EP-0106489-A2 | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |