Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27872987 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27719750 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL4403975 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27769966 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27748668 | 0.70 | POLB (0.36) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL2441749 | 0.69 | KDM4E (0.42) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27812080 | 0.66 | NOS1 (0.43) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL28274102 | 0.65 | NOS1 (0.31) | — | |
| SCHEMBL8630351 | 0.64 | ALDH1A1 (0.36) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27739639 | 0.64 | ALOX5 (0.37) | ALDH1A1CYP1A2MAPT |
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-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |