Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPY2R | P49146 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.31 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.31 |
| ▸ | KCNJ8 | Q15842 | 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 | |
|---|---|---|---|---|
| SCHEMBL29025855 | 1.00 | ALDH1A1 (0.35) | ALDH1A1NPY2RMAPTIMPDH2NPC1 | |
| SCHEMBL29288680 | 0.93 | ALDH1A1 (0.34) | ALDH1A1NPY2RMAPTIMPDH2NPC1 | |
| SCHEMBL29025857 | 0.93 | ALDH1A1 (0.34) | ALDH1A1NPY2RMAPTIMPDH2NPC1 | |
| SCHEMBL30478652 | 0.83 | ALDH1A1 (0.35) | ALDH1A1NPY2RMAPTIMPDH2NPC1 | |
| SCHEMBL20605293 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTIMPDH2NPC1RAB9A | |
| SCHEMBL20605289 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTIMPDH2NPC1RAB9A | |
| SCHEMBL19322331 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPTIMPDH2NPC1RAB9A | |
| SCHEMBL24167727 | 0.75 | EGFR (0.40) | ALDH1A1MAPTIMPDH2NPC1RAB9A | |
| SCHEMBL6588041 | 0.75 | EGFR (0.40) | ALDH1A1MAPTIMPDH2NPC1RAB9A | |
| SCHEMBL6584471 | 0.75 | EGFR (0.40) | ALDH1A1MAPTIMPDH2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109422755-A | A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2019-03-05 | — | — | CN | disclosed |