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 | 0.33 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.32 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.32 |
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 SCHEMBL6271322 | 1.00 | NOS2 (0.34) | NOS2MAPTALDH1A1PTPRCLMNA | |
| Hydrochloric Acid SCHEMBL27972450 | 0.98 | NOS2 (0.33) | NOS2MAPTALDH1A1PTPRCLMNA | |
| SCHEMBL320995 | 0.98 | NOS2 (0.35) | NOS2MAPTALDH1A1PTPRCLMNA | |
| SCHEMBL30440575 | 0.98 | NOS2 (0.35) | NOS2MAPTALDH1A1PTPRCLMNA | |
| SCHEMBL1052801 | 0.96 | NOS2 (0.34) | NOS2MAPTALDH1A1PTPRCLMNA | |
| SCHEMBL28031614 | 0.89 | ALDH1A1 (0.33) | MAPTALDH1A1PTPRCLMNAMEN1 | |
| Hydrochloric Acid SCHEMBL6671312 | 0.86 | NOS2 (0.36) | NOS2MAPTALDH1A1TSHRMEN1 | |
| SCHEMBL30239049 | 0.84 | NOS2 (0.37) | NOS2MAPTALDH1A1LMNATSHR | |
| SCHEMBL27460826 | 0.81 | ALDH1A1 (0.37) | NOS2MAPTALDH1A1LMNARAB9A | |
| SCHEMBL14829873 | 0.81 | NOS2 (0.32) | NOS2MEN1KMT2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103930414-B | Crystal of 7- { (3S,4S) -3- [ (cyclopropylamino) methyl ] -4-fluoropyrrolidin-1-yl } -6-fluoro-1- (2-fluoroethyl) -8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | KYORIN PHARMACEUTICAL CO.,LTD. (JP) | 2016-01-20 | — | — | CN | claimed |
| CN-103930414-A | crystal of 7- { (3S,4S) -3- [ (cyclopropylamino) methyl ] -4-fluoropyrrolidin-1-yl } -6-fluoro-1- (2-fluoroethyl) -8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | KYORIN SEIYAKU KK | 2014-07-16 | — | — | CN | claimed |
| WO-2005113509-A1 | NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-12-01 | — | — | WO | claimed |
| CN-1136198-C | Novel benzyl pyrimidines | ��������ҩ�ɷ�����˾ | 2004-01-28 | — | — | CN | claimed |
| CN-1166831-A | Novel benzyl pyrimidines | HOFFMANN LA ROCHE (CH) | 1997-12-03 | — | — | CN | claimed |
| CN-105338982-A | Solid pharmaceutical composition | KYORIN SEIYAKU KK | 2016-02-17 | — | — | CN | disclosed |
| CN-105338981-A | Solid pharmaceutical composition | KYORIN SEIYAKU KK | 2016-02-17 | — | — | CN | disclosed |
| CN-103930414-B | Crystal of 7- { (3S,4S) -3- [ (cyclopropylamino) methyl ] -4-fluoropyrrolidin-1-yl } -6-fluoro-1- (2-fluoroethyl) -8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | KYORIN PHARMACEUTICAL CO.,LTD. (JP) | 2016-01-20 | — | — | CN | disclosed |
| CN-104945375-A | 7-{(3S, 4S)-3-[cyclopropylamino)methyl]-4-fluoropyrrolidine-1-yl}-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid crystal | KYORIN SEIYAKU KK | 2015-09-30 | — | — | CN | disclosed |
| CN-103930414-A | crystal of 7- { (3S,4S) -3- [ (cyclopropylamino) methyl ] -4-fluoropyrrolidin-1-yl } -6-fluoro-1- (2-fluoroethyl) -8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid | KYORIN SEIYAKU KK | 2014-07-16 | — | — | CN | disclosed |
| EP-2501680-A1 | A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF | KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO et al (SI) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011061292-A1 | A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF | KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) | 2011-05-26 | — | — | WO | disclosed |
| CN-1948306-A | Fluoroquinolone-oxazolidone derivative, its preparation method and application | SHANGHAI MEDICINE INDUSTRY INS (CN) | 2007-04-18 | — | — | CN | disclosed |
| WO-2005113509-A1 | NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-12-01 | — | — | WO | disclosed |
| EP-1187835-A4 | OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF | DONG WHA PHARM IND CO LTD (KR) | 2003-01-29 | — | — | EP | disclosed |
| EP-1187835-A1 | OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF | DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000071541-A1 | OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF | DONG WHA PHARM. IND. CO., LTD. (KR) | 2000-11-30 | — | — | WO | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |