Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 4/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 SCHEMBL27725634 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2A6TRPA1CA1 | |
| SCHEMBL31271 | 0.81 | AHR (0.50) | ALDH1A1CYP1A2CYP2A6BACE1AHR | |
| Quinoline SCHEMBL27593158 | 0.80 | CYP1A2 (0.59) | ALDH1A1CYP1A2CYP2A6NR4A2CYP3A4 | |
| Quinoline SCHEMBL28292512 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NR4A2CYP3A4TRPA1 | |
| Quinoline SCHEMBL28073739 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NR4A2CYP3A4TRPA1 | |
| Quinoline SCHEMBL843861 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NR4A2CYP3A4TRPA1 | |
| Quinoline SCHEMBL28816675 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NR4A2CYP3A4TRPA1 | |
| Quinoline SCHEMBL28826923 | 0.79 | NR4A2 (0.63) | ALDH1A1CYP1A2CYP2A6NR4A2TRPA1 | |
| Quinoline SCHEMBL28046361 | 0.79 | AHR (0.62) | ALDH1A1CYP1A2CYP2A6NR4A2TRPA1 | |
| Quinoline SCHEMBL27735425 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP1A2BACE1NR4A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073730-B | monocyclic pyridine derivatives | 卫材R&D管理有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-105073730-A | monocyclic pyridine derivatives | WEI CAIR | 2015-11-18 | — | — | CN | disclosed |