Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Quinoline. 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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 known ✓ | P07900 | 2/20 | 0.50 |
| ▸ | HSP90AB1 known ✓ | P08238 | 1/20 | 0.50 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.46 |
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.46 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.90 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27657334 | 1.00 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL30345206 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL2790221 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL374456 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL6381814 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29611747 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29558745 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL31134070 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL483565 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL5714730 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 |
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-106632032-B | Dequalinium Chloride and preparation method thereof | 华润双鹤药业股份有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109982726-A | Polyurethane-hydrogel composition comprising Chlorhexidine | 艾默迪亚有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-107827814-A | A kind of Dequalinium Chloride crystal formation A preparation method | 安徽恒星制药有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107106445-A | Liquid oral composition in foam-discharging container | 花王株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-106854179-A | The preparation method of Dequalinium Chloride and the like | 华润双鹤药业股份有限公司 | 2017-06-16 | — | — | CN | disclosed |
| CN-106632032-A | Dequalinium and preparation method thereof | 华润双鹤药业股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106632031-A | Dequalinium chloride crystal and buccal tablet thereof, and preparation method of buccal tablet | 珠海同源药业有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106420614-A | Methods and compositions for the delivery of a therapeutic agent | 哈南亚有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106389330-A | METHODS AND COMPOSITIONS FOR THE DELIVERY OF A THERAPEUTIC AGENT | 哈南亚有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-101678112-B | Methods and compositions for delivering therapeutic agents | 哈南亚有限公司 | 2016-08-31 | — | — | CN | disclosed |