Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NCF1 | P14598 | 3/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 SCHEMBL11513560 | 0.93 | CYP1A2 (0.66) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL28214171 | 0.89 | CYP1A2 (0.66) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL28523545 | 0.87 | CYP1A2 (0.91) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL56360 | 0.87 | CYP1A2 (1.00) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL29405077 | 0.87 | CYP1A2 (1.00) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL5428195 | 0.87 | CYP1A2 (1.00) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL27707278 | 0.86 | CYP1A2 (0.79) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL8965721 | 0.86 | CYP1A2 (0.79) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL28470827 | 0.85 | CYP1A2 (0.86) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| Quinaldine SCHEMBL27522751 | 0.85 | CYP1A2 (0.86) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109053566-A | A kind of synthetic method of 2- methylquinoline | 江苏师范大学 | 2018-12-21 | — | — | CN | claimed |
| CN-109053566-A | A kind of synthetic method of 2- methylquinoline | 江苏师范大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-106632143-B | The cycle the preparation method of N-methylmorpholine | 浙江大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-107117665-A | A kind of transportation of live fish stress renovation agent and preparation method thereof | 北京科力旺达生物技术有限公司 | 2017-09-01 | — | — | CN | disclosed |
| US-9320771-B2 | TTO-based wide spectrum therapeutics, disinfectants and anesthetics for use in aquaculture | STOCKTON (ISRAEL) LTD. (IL) | 2016-04-26 | — | — | US | disclosed |
| CN-103027004-B | Long-distance transportation method of sepia esculenta adults | OCEAN UNIV CHINA | 2014-04-23 | — | — | CN | disclosed |
| CN-103027004-A | Long-distance transportation method of sepia esculenta adults | OCEAN UNIV CHINA | 2013-04-10 | — | — | CN | disclosed |
| WO-2012067592-A1 | A READY TO USE CLOVE OIL FORMULATION FOR ANESTHESIA FOR AQUATIC ANIMALS | WONGTAVATCHAI JANENUJ (TH) | 2012-05-24 | — | — | WO | disclosed |
| US-20120065273-A1 | TTO-BASED WIDE SPECTRUM THERAPEUTICS, DISINFECTANTS & ANESTHETICS FOR USE IN AQUACULTURE | BIOMOR ISRAEL LTD. (IL) | 2012-03-15 | — | — | US | disclosed |
| US-20090098227-A1 | TTO-BASED WIDE SPECTRUM THERAPEUTICS, DISINFECTANTS & ANESTHETICS FOR USE IN AQUACULUTRE | BIOMOR ISRAEL LTD. (IL) | 2009-04-16 | — | — | US | disclosed |
| EP-2018177-A2 | TTO-BASED WIDE SPECTRUM THERAPEUTICS, DISINFECTANTS & ANESTHETICS FOR USE IN AQUACULTURE | Biomor Israel Ltd. (IL) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007122619-A2 | TTO-BASED WIDE SPECTRUM THERAPEUTICS, DISINFECTANTS & ANESTHETICS FOR USE IN AQUACULTURE | BIOMOR ISRAEL LTD. (IL) | 2007-11-01 | — | — | WO | disclosed |
| EP-0328319-B1 | Quaternary quinolinium compounds | EXXON RESEARCH ENGINEERING CO (US) | 1994-09-28 | — | — | EP | disclosed |
| US-4880907-A | CORROSION RESISTANCE | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| EP-0328319-A1 | Quaternary quinolinium compounds | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1989-08-16 | — | — | EP | disclosed |