Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ULK1 | O75385 | 1/20 | 0.42 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3592648 | 0.84 | ALDH1A1 (0.50) | MTORNPC1POLBMEN1MAPT | |
| SCHEMBL15940145 | 0.79 | NPC1 (0.51) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL28190172 | 0.79 | TRPV1 (0.54) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL31235641 | 0.79 | NPC1 (0.51) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL25389520 | 0.77 | ALDH1A1 (0.66) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL1011248 | 0.77 | PABPC1 (0.59) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL6748149 | 0.77 | NPC1 (0.63) | GRM4NPC1POLBMEN1MAPT | |
| SCHEMBL29492863 | 0.76 | PIK3CA (0.58) | MTOR | |
| SCHEMBL24270662 | 0.76 | PIK3CA (0.44) | MTOR | |
| SCHEMBL24270657 | 0.76 | PIK3CA (0.58) | MTOR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156783-A | The fused quinoline compound that pyrimidine radicals as PI3K/MTOR inhibitor replaces | 南京爱德程医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-110156782-A | The fused quinoline compound that pyridyl group as PI3K/MTOR inhibitor replaces | 南京爱德程医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-110128425-A | As the aromatic ring of PI3K/MTOR inhibitor or the fused quinoline compound of heterocyclic substituted | 南京爱德程医药科技有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-110078730-A | The fused quinoline compound that quinoline as PI3K/MTOR inhibitor replaces | 南京爱德程医药科技有限公司 | 2019-08-02 | — | — | CN | disclosed |