Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 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 SCHEMBL10711398 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27894663 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL29558745 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL1781990 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL5714730 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27560090 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL2790221 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL483565 | 0.97 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28099332 | 0.95 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28162459 | 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 8 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 | claimed |
| 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 | claimed |
| CN-106632032-A | Dequalinium and preparation method thereof | 华润双鹤药业股份有限公司 | 2017-05-10 | — | — | CN | claimed |
| 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-105859615-B | A kind of preparation method and intermediate of Dequalinium Chloride | 安徽恒星制药有限公司 | 2019-05-03 | — | — | 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-105859615-A | Novel preparation method and novel intermediate of dequalinium chloride | 安徽省逸欣铭医药科技有限公司 | 2016-08-17 | — | — | CN | disclosed |