Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16596824 | 0.85 | LMNA (0.48) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL16596818 | 0.82 | PIK3CD (0.49) | ALDH1A1LMNAL3MBTL1MAPTTP53 | |
| SCHEMBL28274744 | 0.81 | ALDH1A1 (0.51) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL32673552 | 0.80 | ALDH1A1 (0.54) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL5021829 | 0.78 | KDM4E (0.62) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL16596153 | 0.77 | PIK3CD (0.44) | ALDH1A1LMNAL3MBTL1TP53NOTUM | |
| SCHEMBL4469971 | 0.75 | ALDH1A1 (0.51) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL13180854 | 0.73 | HSD17B10 (0.53) | ALDH1A1LMNAL3MBTL1GAAPKM | |
| SCHEMBL14933444 | 0.72 | ALDH1A1 (0.55) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT | |
| Methaqualone SCHEMBL43892 | 0.72 | ALDH1A1 (1.00) | ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT |
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-106188059-A | Some chemical entities, compositions and method | 英特利凯恩有限责任公司 | 2016-12-07 | — | — | CN | disclosed |