Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 SCHEMBL27705544 | 0.88 | AHR (0.62) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL843861 | 0.82 | ALDH1A1 (0.63) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL28292512 | 0.82 | ALDH1A1 (0.63) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL28816675 | 0.82 | ALDH1A1 (0.63) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL28073739 | 0.82 | ALDH1A1 (0.63) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL27735425 | 0.82 | ALDH1A1 (0.54) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL27713201 | 0.82 | AHR (0.62) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL28826923 | 0.82 | NR4A2 (0.63) | AHRCYP1A2CYP2C19HTTALDH1A1 | |
| Quinoline SCHEMBL27740778 | 0.81 | NPC1 (0.51) | AHRALDH1A1NR4A2TRPA1CA1 | |
| Quinoline SCHEMBL27739225 | 0.81 | ALDH1A1 (0.61) | AHRCYP1A2CYP2C19HTTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105769871-A | Application of NIK protein kinase inhibitor in serving as medicine for treating liver diseases | 东北师范大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-105367474-A | Indoline derivative and application of indoline derivative in medicine | GUANGDONG HEC PHARMACEUTICAL | 2016-03-02 | — | — | CN | disclosed |
| CN-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |