Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30115857 | 0.88 | ALDH1A1 (0.44) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL2456617 | 0.88 | ALDH1A1 (0.44) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL30369786 | 0.87 | ALDH1A1 (0.46) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL19442220 | 0.87 | ALDH1A1 (0.46) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL22118076 | 0.85 | ALDH1A1 (0.42) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL2829001 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL28120160 | 0.80 | MAPT (0.47) | ALDH1A1HTTMAPTLMNAALOX5 | |
| SCHEMBL18157850 | 0.79 | ALDH1A1 (0.45) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL30369746 | 0.79 | ALDH1A1 (0.45) | ALDH1A1GAAHTTL3MBTL1THRB | |
| SCHEMBL6676629 | 0.78 | ALDH1A1 (0.45) | ALDH1A1GAAHTTL3MBTL1THRB |
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-109071543-B | Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use | 三进制药株式会社 | 2021-07-16 | — | — | CN | disclosed |