Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL27645641 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL27645537 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL28080888 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL11310071 | 0.79 | MAPT (0.52) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL6672586 | 0.77 | ALDH1A1 (0.57) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL28147295 | 0.73 | ALDH1A1 (0.78) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL9763031 | 0.72 | ALDH1A1 (0.49) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL12176236 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTPKMHTTKDM4E | |
| SCHEMBL9763027 | 0.70 | MEN1 (0.81) | ALDH1A1MAPTHTTKDM4EMEN1 | |
| SCHEMBL69748 | 0.70 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4EHPGDNPSR1 |
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-101146769-A | Azolylacylguanidines as beta-secretase inhibitors | WYETH CORP (US) | 2008-03-19 | — | — | CN | disclosed |