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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.68 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.64 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.64 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.55 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.55 |
| ▸ | TOP1 known ✓ | P11387 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | CLK2 | P49760 | 1/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 SCHEMBL4463121 | 1.00 | KCNH2 (0.68) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| Hydrochloric Acid SCHEMBL4462953 | 1.00 | KCNH2 (0.68) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| Hydrochloric Acid SCHEMBL14740155 | 0.99 | KCNH2 (0.67) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| Hydrochloric Acid SCHEMBL14740153 | 0.99 | KCNH2 (0.67) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4365316 | 0.99 | KCNH2 (0.69) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4458208 | 0.99 | KCNH2 (0.69) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4460676 | 0.99 | KCNH2 (0.69) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4364270 | 0.95 | KCNH2 (0.64) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4460621 | 0.95 | KCNH2 (0.64) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL4460682 | 0.95 | KCNH2 (0.64) | KCNH2KDM4EALDH1A1HPGDPOLB |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130296228-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-11-07 | — | — | US | claimed |
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-03-07 | — | — | US | claimed |
| US-7538221-B2 | Polymorphs of racemic, dextrorotatory, and levorotatory enantioners of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid hydrochloride and mesylate salts | THE COMPANY OF WOCKHARDT LIMITED (IN) | 2009-05-26 | — | — | US | claimed |
| US-20070082926-A1 | Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts | WOCKHARDT LIMITED (IN) | 2007-04-12 | — | — | US | claimed |
| EP-1694667-A2 | POLYMORPHS OF 1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL)-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS | Wockhardt Limited (IN) | 2006-08-30 | — | — | EP | claimed |
| WO-2005066154-A2 | POLYMORPHS OF 1-CYCLOPROPYL-6-FUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL) -1, 4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS | WOCKHARDT LIMITED (IN) | 2005-07-21 | — | — | WO | claimed |
| US-6878713-B2 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments | WOCKHARDT LIMITED (IN) | 2005-04-12 | — | — | US | claimed |
| EP-1453824-A1 | NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS | Wockhardt Limited (IN) | 2004-09-08 | — | — | EP | claimed |
| US-20030216568-A1 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments | WOCKHARDT LIMITED | 2003-11-20 | — | — | US | claimed |
| WO-2003050107-A1 | NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS | WOCKHARDT LIMITED (IN) | 2003-06-19 | — | — | WO | claimed |
| US-20130296228-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-11-07 | — | — | US | disclosed |
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-03-07 | — | — | US | disclosed |
| EP-2536408-A1 | EFFLUX PUMP INHIBITORS | Wockhardt Research Centre (IN) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101710-A1 | EFFLUX PUMP INHIBITORS | WOCKHARDT RESEARCH CENTRE (IN) | 2011-08-25 | — | — | WO | disclosed |
| US-7626032-B2 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments | WOCKHARDT LIMITED (IN) | 2009-12-01 | — | — | US | disclosed |
| EP-1392677-A2 | CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | Wockhardt Limited (IN) | 2004-03-03 | — | — | EP | disclosed |
| US-20030216568-A1 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments | WOCKHARDT LIMITED | 2003-11-20 | — | — | US | disclosed |
| WO-2003050107-A1 | NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS | WOCKHARDT LIMITED (IN) | 2003-06-19 | — | — | WO | disclosed |
| US-20030096812-A1 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments | WOCKHARDT LIMITED | 2003-05-22 | — | — | US | disclosed |
| WO-2002085886-A2 | CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | WOCKHARDT LIMITED (IN) | 2002-10-31 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130296228-A1 | EFFLUX PUMP INHIBITORS | ABCB11, ABCC1, ABCB1 | KCNH2 2360/4885OPRM1 3069/4885PRKD3 3651/4885 |
| US-20070082926-A1 | Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts | CYP2D6, UGT1A1, ADRA1A | KCNH2 784/4885OPRM1 5/4885PRKD3 4437/4885 |
| US-20030096812-A1 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments | ABCG2, CYP3A7, UGT1A7 | KCNH2 4170/4885OPRM1 167/4885PRKD3 1328/4885 |
| US-20030216568-A1 | Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments | ABCG2, CYP3A7, UGT1A7 | KCNH2 4170/4885OPRM1 167/4885PRKD3 1328/4885 |
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | ABCB11, ABCC1, ABCB1 | KCNH2 2360/4885OPRM1 3069/4885PRKD3 3651/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.