Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.71 |
| ▸ | CTSS | P25774 | 11/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.69 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | 0.83 | CTSK (1.00) | CTSKCTSSKCNH2 | |
| SCHEMBL5798433 | 0.83 | CTSK (0.66) | CTSKCTSSKCNH2 | |
| SCHEMBL8269456 | 0.82 | CTSK (1.00) | CTSKCTSSKCNH2CTSBKMT2A | |
| SCHEMBL5798407 | 0.80 | CTSK (0.69) | CTSKCTSSKCNH2CTSBCYP19A1 | |
| SCHEMBL20805207 | 0.78 | CTSK (0.83) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL21966217 | 0.78 | CTSK (0.78) | CTSKCTSSKCNH2CTSBTSHR | |
| SCHEMBL5795402 | 0.77 | CTSK (0.58) | CTSKCTSSKCNH2 | |
| Trifluoroacetic Acid SCHEMBL5813071 | 0.76 | CTSK (0.54) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL5796222 | 0.76 | CTSK (0.79) | CTSKCTSSKCNH2CTSB | |
| SCHEMBL5795318 | 0.76 | CTSK (0.79) | CTSKCTSSKCNH2CTSB |
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 |