Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL95860 | 0.79 | TOP1 (0.41) | MAOBCYP3A4IDO1TOP1DAO | |
| SCHEMBL95859 | 0.74 | MAOB (0.35) | MAOBCYP3A4IDO1TOP1APP | |
| SCHEMBL95858 | 0.74 | MAOB (0.35) | MAOBCYP3A4IDO1TOP1APP | |
| SCHEMBL1932991 | 0.68 | CYP3A4 (0.42) | CYP3A4IDO1DAOAPP | |
| SCHEMBL9015821 | 0.68 | TOP1 (0.62) | CYP3A4TOP1 | |
| SCHEMBL9015817 | 0.68 | TOP1 (0.62) | CYP3A4TOP1 | |
| SCHEMBL13776806 | 0.66 | CYP3A4 (0.41) | CYP3A4IDO1DAOAPP | |
| SCHEMBL2088821 | 0.63 | KCNH2 (0.42) | MAOBIDO1TOP1 | |
| SCHEMBL2088822 | 0.63 | KCNH2 (0.42) | MAOBIDO1TOP1 | |
| SCHEMBL175474 | 0.62 | CYP3A4 (0.41) | CYP3A4IDO1APP |
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-101489555-A | Nf-kappa | OTSUKA PHARMA CO LTD (JP) | 2009-07-22 | — | — | CN | disclosed |