Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.67 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.57 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.55 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.54 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL21651043 | 0.81 | ROCK1 (0.54) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| Hydrochloric Acid SCHEMBL1090628 | 0.81 | ROCK1 (0.62) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL12968733 | 0.81 | ROCK1 (1.00) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL5746783 | 0.81 | NUDT1 (0.62) | ROCK1NUDT1MAPK8MAPK9ALDH1A1 | |
| SCHEMBL13911379 | 0.80 | ROCK1 (0.69) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL6761496 | 0.80 | ROCK1 (0.72) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL12231906 | 0.80 | ROCK1 (0.52) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL20684589 | 0.80 | ROCK1 (0.52) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL18722710 | 0.79 | ROCK1 (0.67) | ROCK1NUDT1MAPK8MAPK9MKNK1 | |
| SCHEMBL5762402 | 0.79 | ROCK1 (0.57) | ROCK1NUDT1MAPK8MAPK9MKNK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |