Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27987363 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL27417695 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Decane SCHEMBL9763188 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL28202501 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Dodecane SCHEMBL28937946 | 0.98 | ALDH1A1 (0.68) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL11220317 | 0.96 | ALDH1A1 (0.65) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL28162427 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL2364026 | 0.93 | ALDH1A1 (0.61) | ALDH1A1TLR8NPC1GPBAR1POLB | |
| Quinoline SCHEMBL4599170 | 0.91 | ALDH1A1 (0.77) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL4158642 | 0.91 | ALDH1A1 (0.59) | ALDH1A1TLR8NPC1GPBAR1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061465-B | A kind of quinoline ring connection oxazolone cycle compound, preparation method and application | 华东师范大学 | 2017-07-25 | — | — | CN | disclosed |
| CN-104820040-B | Method for measuring nicotine content in gum base type chewing tobacco | 云南中烟工业有限责任公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-104820040-A | Method for measuring nicotine content in gum base type chewing tobacco | CHINA TOBACCO YUNNAN IND CO LTD | 2015-08-05 | — | — | CN | disclosed |
| CN-102911136-B | Stereoselective synthetic method for tea geometrid sex pheromone | UNIV XIAMEN | 2014-11-05 | — | — | CN | disclosed |
| CN-102911136-A | Stereoselective synthetic method for tea geometrid sex pheromone | UNIV XIAMEN | 2013-02-06 | — | — | CN | disclosed |
| CN-102321050-A | Gypsy moth sex pheromone synthesis method | UNIV XIAMEN | 2012-01-18 | — | — | CN | disclosed |