Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL27884799 | 1.00 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL27884797 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL27884793 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL27884801 | 0.86 | ABCB1 (0.45) | ALDH1A1MAPK1L3MBTL1KMT2ASLC1A3 | |
| SCHEMBL9856356 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL10779380 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL10774468 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL28319599 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL11221440 | 0.79 | TSHR (0.48) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL6154936 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A |
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-102603591-A | Method for synthesizing key intermediate of Vernakalant | UNIV ZHEJIANG TECHNOLOGY | 2012-07-25 | — | — | CN | disclosed |