Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Quinaldine. 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 | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.46 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.95 |
| ▸ | NCF1 | P14598 | 3/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Quinaldine SCHEMBL28748150 | 1.00 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL9410510 | 1.00 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL28415596 | 0.98 | CYP1A2 (0.91) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL56360 | 0.97 | CYP1A2 (1.00) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL29405077 | 0.97 | CYP1A2 (1.00) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL5428195 | 0.97 | CYP1A2 (1.00) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL10334551 | 0.95 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL10348815 | 0.95 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL22129966 | 0.95 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 | |
| Quinaldine SCHEMBL20741442 | 0.95 | CYP1A2 (0.95) | CYP1A2NCF1NOS2BACE1CA12 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119395182-A | Method for detecting 2-chloro-propanediol and 3-chloro-propanediol | 上海应用技术大学 | 2025-02-07 | — | — | CN | disclosed |
| CN-107406452-B | Pyrazolo [3,4-d] pyrimidine derivatives and its purposes for treating leishmaniasis | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-104981249-B | Antimicrobe compound, their synthesis and its application | 英国卫生部 | 2018-06-19 | — | — | CN | disclosed |
| CN-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |
| EP-2070922-A1 | Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2009-06-17 | — | — | EP | disclosed |
| CN-1264607-C | Catalysts comprised of N-substituted cyclic imides and processes for preparing organic compounds with catalysts | DAICEL CHEM (JP) | 2006-07-19 | — | — | CN | disclosed |
| EP-0905134-B1 | Piperidine derivatives as LTD4 and H1 antagonists | KOWA CO (JP) | 2002-01-16 | — | — | EP | disclosed |
| US-6248765-B1 | ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) | 2001-06-19 | — | — | US | disclosed |
| US-6107308-A | ANTIHISTAMINE; LEUTRIENE ANTAGONIST | KOWA CO., LTD. (JP) | 2000-08-22 | — | — | US | disclosed |
| EP-0905134-A1 | Piperidine derivatives as LTD4 and H1 antagonists | KOWA COMPANY, LTD. (JP) | 1999-03-31 | — | — | EP | disclosed |
| US-5473076-A | Enantiomerically pure intermediates for (quinolin-2-yl-methoxy) phenylacetic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-05 | — | — | US | disclosed |
| US-5306820-A | Process for the preparation of enantiomerically pure substituted (quinolin-2-yl-methoxy)phenylacetic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1994-04-26 | — | — | US | disclosed |
| EP-0258391-A1 | USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD | RHONE POULENC NEDERLAND B.V. (NL) | 1988-03-09 | — | — | EP | disclosed |
| WO-1987004321-A2 | USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD | RHONE-POULENC NEDERLANDS B.V. (NL) | 1987-07-30 | — | — | WO | disclosed |
| EP-0005226-B1 | PROCESS FOR THE MANUFACTURE OF URETHANES | BAYER AG (DE) | 1980-11-12 | — | — | EP | disclosed |
| EP-0005226-A1 | Process for the manufacture of urethanes | BAYER AG (DE) | 1979-11-14 | — | — | EP | disclosed |