Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 11/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5983565 | 0.86 | JAK2 (0.41) | PARP1CHEK1JAK2AHRTYMS | |
| SCHEMBL26071728 | 0.85 | ROCK2 (0.44) | PARP1CHEK1ROCK2 | |
| SCHEMBL30596156 | 0.85 | ROCK2 (0.44) | PARP1CHEK1ROCK2 | |
| SCHEMBL30673402 | 0.83 | PARP1 (0.53) | PARP1CHEK1JAK2AHRTYMS | |
| SCHEMBL1536413 | 0.83 | PARP1 (0.53) | PARP1CHEK1JAK2AHRTYMS | |
| SCHEMBL1315422 | 0.83 | MAPT (0.47) | TYMS | |
| SCHEMBL28397791 | 0.77 | PARP1 (0.66) | PARP1CHEK1JAK2JAK3 | |
| SCHEMBL21870525 | 0.72 | MAPT (0.61) | TYMS | |
| Trifluoromethanesulfonic Acid SCHEMBL27781740 | 0.71 | PARP1 (0.42) | PARP1CHEK1JAK2AHRTYMS | |
| SCHEMBL722687 | 0.71 | MAPT (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111138355-A | Preparation method of formaldehyde-substituted aza-condensed ring compound | 成都睿智化学研究有限公司 | 2020-05-12 | — | — | CN | disclosed |