Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.41 |
| ▸ | ACHE | P22303 | 7/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5791906 | 0.99 | MAOB (0.40) | MAOBACHEBCHECTSK | |
| SCHEMBL5792592 | 0.96 | MAOB (0.39) | MAOBACHEBCHECTSK | |
| SCHEMBL8270740 | 0.89 | MAOB (0.35) | MAOBACHEBCHECTSK | |
| SCHEMBL8270736 | 0.88 | CTSK (0.35) | MAOBACHEBCHECTSK | |
| SCHEMBL8270739 | 0.85 | CTSK (0.35) | MAOBACHEBCHECTSK | |
| SCHEMBL5791444 | 0.83 | CTSK (0.40) | CTSK | |
| SCHEMBL5794663 | 0.82 | CTSK (0.39) | CTSKKDM4E | |
| SCHEMBL5791034 | 0.80 | CTSK (0.42) | CTSKKDM4E | |
| SCHEMBL5794549 | 0.79 | CTSK (0.41) | CTSK | |
| SCHEMBL5795031 | 0.76 | CTSK (0.35) | CTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |