Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23126284 | 0.79 | PARP1 (0.41) | CCR1CCR5CCR8NPC1HSP90AA1 | |
| SCHEMBL31716247 | 0.79 | KDM4E (0.39) | HSP90AA1CLK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL17128052 | 0.79 | KDM4E (0.39) | HSP90AA1CLK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL17128156 | 0.79 | ALDH1A1 (0.44) | HSP90AA1CLK1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL17128058 | 0.78 | MMP1 (0.37) | CLK1CDK5CDK5R1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31716112 | 0.78 | MMP1 (0.37) | CLK1CDK5CDK5R1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1195473 | 0.72 | KDM4E (0.46) | HSP90AA1L3MBTL1CLK1CDK5CDK5R1 | |
| SCHEMBL2766777 | 0.71 | ALDH1A1 (0.48) | CCR1CCR5CCR8ALDH1A1MAPT | |
| SCHEMBL19044147 | 0.69 | GPR3 (0.47) | KDM4E | |
| SCHEMBL20138823 | 0.68 | KMT2A (0.51) | NPC1ALDH1A1MAPTKDM4ELMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |