Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.50 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.46 |
| ▸ | EGFR known ✓ | P00533 | 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 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 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 SCHEMBL27443844 | 1.00 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27258190 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL9355965 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28302932 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL2790076 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27615425 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| SCHEMBL3189055 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28512615 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL405162 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29418238 | 0.95 | ALDH1A1 (0.90) | 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107872956-A | Synergistic antifungal composition containing benzoxaborole | 宾夕法尼亚州研究基金会 | 2018-04-03 | — | — | CN | claimed |
| CN-107619408-A | A kind of aminothiazole carboxylic acid derivates and its production and use | 南开大学 | 2018-01-23 | — | — | CN | claimed |
| CN-104370982-B | A kind of diphyllin derivative and its production and use | 南开大学 | 2017-11-21 | — | — | CN | claimed |
| CN-107226812-A | One class piperidines thiazole oxime ether methoxy base acrylate derivative and its production and use | 南开大学 | 2017-10-03 | — | — | CN | claimed |
| CN-106588894-A | Furan-containing pyridine bipyrazole formamide derivatives, and preparation method and application thereof | 河北农业大学 | 2017-04-26 | — | — | CN | claimed |
| CN-104649996-B | Isothiazole oxime ether derivatives as well as preparation method and application thereof | 南开大学 | 2017-02-22 | — | — | CN | claimed |
| CN-105732606-A | Thiadiazole heterocycle-containing anabasine compound as well as preparation method and application thereof | 南开大学 | 2016-07-06 | — | — | CN | claimed |
| CN-110372617-A | A kind of Pharmaceutical composition, the crystal form and preparation method thereof of prothioconazoles, application | 北京颖泰嘉和生物科技股份有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-110041259-A | Fluorine substituted pyrazolecarboxylic amine derivant and its preparation method and application | 南开大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-109970653-A | Methoxy acrylate derivative and its preparation method and application of the one kind containing difluoromethyl pyrazole | 南开大学 | 2019-07-05 | — | — | CN | disclosed |
| CN-109970651-A | Pyrazole phenyl ethers methoxy acrylate derivative and its preparation method and application | 南开大学 | 2019-07-05 | — | — | CN | disclosed |
| CN-106995417-B | A kind of isothiazole oxime ether methoxy base acrylate derivative and its preparation method and application | 南开大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-106995420-B | A kind of thiadiazoles oxime ether methoxy base acrylate derivative and its preparation method and application | 南开大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-104370982-B | A kind of diphyllin derivative and its production and use | 南开大学 | 2017-11-21 | — | — | CN | disclosed |
| CN-107226812-A | One class piperidines thiazole oxime ether methoxy base acrylate derivative and its production and use | 南开大学 | 2017-10-03 | — | — | CN | disclosed |
| CN-106995420-A | One class thiadiazoles oxime ether methoxy base acrylate derivative and its production and use | 南开大学 | 2017-08-01 | — | — | CN | disclosed |
| CN-106659160-A | Insecticide, miticide, nematicide, molluscicide, disinfectant, or bactericide composition, and pest control method | 日产化学工业株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-103635089-B | Comprise the reactive compound compound of (sulfur generation) carboxamide derivative and Fungicidal compounds | 拜耳知识产权有限责任公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-103444743-B | A kind of Quinoxyfen-containinsterilization and the bactericidal composition of methoxy acrylic | 陕西韦尔奇作物保护有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-105766924-A | Insecticidal and acaricidal composition containing bactericide or bactericide (virus) killing agent | 沈阳中化农药化工研发有限公司 | 2016-07-20 | — | — | CN | disclosed |