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 | 0.40 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.39 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.38 |
| ▸ | SCN5A known ✓ | Q14524 | 2/20 | 0.37 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SCN4A known ✓ | P35499 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.36 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.36 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1973594 | 0.98 | TRPV1 (0.43) | TRPV1MAOBAOC3GPR3NPC1 | |
| SCHEMBL2094324 | 0.84 | TRPV1 (0.43) | TRPV1GPR3NPC1RAB9AMAPK1 | |
| SCHEMBL2090668 | 0.81 | TRPV1 (0.46) | TRPV1GPR3CHRM5MRGPRX4EPHX2 | |
| SCHEMBL13783351 | 0.81 | TRPV1 (0.46) | TRPV1GPR3CHRM5MRGPRX4EPHX2 | |
| SCHEMBL2090671 | 0.81 | TRPV1 (0.46) | TRPV1GPR3CHRM5GRIN2BMRGPRX4 | |
| Hydrochloric Acid SCHEMBL31594003 | 0.81 | GPR3 (0.41) | MAOBAOC3GPR3NPC1RAB9A | |
| SCHEMBL28737243 | 0.81 | TRPV1 (0.43) | TRPV1GPR3CHRM5GRIN2BMRGPRX4 | |
| Hydrochloric Acid SCHEMBL5598074 | 0.79 | MAOB (0.43) | TRPV1MAOBAOC3GPR3NPC1 | |
| Hydrochloric Acid SCHEMBL2203322 | 0.79 | GPR3 (0.41) | MAOBAOC3GPR3NPC1RAB9A | |
| SCHEMBL31508223 | 0.79 | GPR3 (0.42) | MAOBAOC3GPR3NPC1RAB9A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101379055-B | Substituted quinolones III | AICURIS GMBH & CO KG | 2012-12-05 | — | — | CN | disclosed |
| CN-101031557-B | Substituted quinolones | AICURIS GMBH & CO KG | 2011-07-27 | — | — | CN | disclosed |
| US-7977349-B2 | Substituted quinolones III | AICURIS GMBH & CO. KG (DE) | 2011-07-12 | — | — | US | disclosed |
| US-7867992-B2 | such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses | AICURIS GMBH & CO. KG (DE) | 2011-01-11 | — | — | US | disclosed |
| US-7569563-B2 | Substituted quinolones II | AICURIS GMBH & CO. HK (DE) | 2009-08-04 | — | — | US | disclosed |
| US-20090181996-A1 | SUBSTITUTED QUINOLONES III | BAYER HEALTHCARE AG (DE) | 2009-07-16 | — | — | US | disclosed |
| CN-101379055-A | Substituted quinolones III | AICURIS GMBH & CO KG (DE) | 2009-03-04 | — | — | CN | disclosed |
| US-20080261964-A1 | Substituted quinolones II | AICURIS GMBH & CO. KG (DE) | 2008-10-23 | — | — | US | disclosed |
| US-20070293478-A1 | Substituted quinolones | BAYER HEALTHCARE AG (DE) | 2007-12-20 | — | — | US | disclosed |
| CN-101031557-A | Substituted quinolones | AICURIS GMBH & CO KG (DE) | 2007-09-05 | — | — | CN | 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 (3 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-20090181996-A1 | SUBSTITUTED QUINOLONES III | IRF3, TPMT, TOP2A | MAOB 1679/4885CHRM5 2220/4885GRIN2B 3663/4885 |
| US-20080261964-A1 | Substituted quinolones II | TOP2A, TPMT, TOP2B | MAOB 885/4885CHRM5 2195/4885GRIN2B 2916/4885 |
| US-20070293478-A1 | Substituted quinolones | IRF3, TPMT, NQO2 | MAOB 1257/4885CHRM5 2065/4885GRIN2B 3979/4885 |
“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.