Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL221461 | 0.79 | PRKCZ (0.43) | ROCK1PRKCZHTR2CHTR2BROCK2 | |
| SCHEMBL13362130 | 0.77 | ALDH1A1 (0.54) | ROCK1PRKCZROCK2KCNH2 | |
| SCHEMBL10207585 | 0.77 | MAOA (0.46) | — | |
| SCHEMBL1911957 | 0.76 | HTR2C (0.42) | HTR2CHTR2B | |
| SCHEMBL1912099 | 0.76 | HTR2C (0.42) | HTR2CHTR2B | |
| SCHEMBL13362085 | 0.76 | ALDH1A1 (0.56) | ROCK1HTR2CHTR2BROCK2KCNH2 | |
| SCHEMBL8572594 | 0.75 | PRKCZ (0.43) | ROCK1PRKCZHTR2CHTR2BCHRNB2 | |
| SCHEMBL4697359 | 0.74 | PRKCZ (0.40) | ROCK1PRKCZHTR2CHTR2BCHRNB2 | |
| SCHEMBL3133920 | 0.73 | PRKCZ (0.56) | ROCK1PRKCZHTR2CHTR2BROCK2 | |
| SCHEMBL7000861 | 0.73 | PRKCZ (0.56) | ROCK1PRKCZHTR2CHTR2BROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1660458-B1 | 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2012-01-25 | — | — | EP | disclosed |