Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.69 |
| ▸ | CTSS | P25774 | 13/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5796281 | 0.82 | CTSK (1.00) | CTSKCTSSKCNH2 | |
| SCHEMBL5798709 | 0.80 | CTSK (0.71) | CTSKCTSSKCNH2CYP19A1CTSB | |
| SCHEMBL5798433 | 0.76 | CTSK (0.66) | CTSKCTSSKCNH2 | |
| SCHEMBL8269456 | 0.75 | CTSK (1.00) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL5795402 | 0.73 | CTSK (0.58) | CTSKCTSSKCNH2 | |
| SCHEMBL5796222 | 0.73 | CTSK (0.79) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL5795318 | 0.73 | CTSK (0.79) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL20805207 | 0.72 | CTSK (0.83) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL5796634 | 0.71 | CTSK (0.55) | CTSKCTSSKCNH2 | |
| SCHEMBL27662837 | 0.70 | CTSK (0.43) | CTSKCTSSKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006040300-A1 | 4-CYCLOALKYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2006-04-20 | — | — | WO | disclosed |
| WO-2006040300-A1 | 4-CYCLOALKYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2006-04-20 | — | — | WO | disclosed |