Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7169755 | 0.88 | BACE1 (0.51) | HDAC1BACE1HDAC4EP300MEF2D | |
| SCHEMBL10353248 | 0.86 | BACE1 (0.44) | APPHDAC1CDK2RPS6KB1BACE1 | |
| SCHEMBL16035042 | 0.81 | APP (0.45) | APPHDAC1CDK2CDC7ROCK2 | |
| SCHEMBL9134263 | 0.81 | HDAC1 (0.49) | APPHDAC1BACE1 | |
| SCHEMBL16035043 | 0.81 | NTRK1 (0.40) | APPHDAC1CDK2BACE1CCNE2 | |
| SCHEMBL28119290 | 0.80 | APP (0.52) | APPHDAC1MAP4K4RPS6KB1BACE1 | |
| SCHEMBL5536813 | 0.80 | APP (0.46) | APPCDK2CDC7ROCK2MAP4K4 | |
| SCHEMBL13941341 | 0.80 | ALDH1A1 (0.55) | APPBACE1TAAR1MAOBIDO1 | |
| SCHEMBL28636990 | 0.80 | BACE1 (0.45) | HDAC1BACE1HDAC4EP300MEF2D | |
| SCHEMBL15722540 | 0.80 | HDAC1 (0.43) | HDAC1PIM1RPS6KB1BACE1HDAC4 |
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-105218537-B | Berberine benzimidazole compounds or pharmaceutically acceptable salts thereof as well as preparation methods and applications of berberine benzimidazole compounds or pharmaceutically acceptable salts of berberine benzimidazole compounds | 西南大学 | 2017-01-11 | — | — | CN | disclosed |