Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245431 | 0.80 | ROCK1 (0.63) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL13911378 | 0.79 | ROCK1 (0.56) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL5750076 | 0.76 | ROCK1 (0.67) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL9004353 | 0.74 | NUDT1 (0.51) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL2953620 | 0.73 | HRH3 (0.51) | ROCK1MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL13911376 | 0.72 | ALDH1A1 (0.50) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL5414063 | 0.72 | MAPT (0.57) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL19300445 | 0.71 | ROCK1 (0.50) | NUDT1ROCK1MAPTALDH1A1NPC1 | |
| SCHEMBL15831287 | 0.71 | ROCK1 (0.55) | ROCK1MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL10274926 | 0.70 | ACHE (0.57) | ACHE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |