Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | CIT | O14578 | 4/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.43 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 2/20 | 0.37 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 2/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29540745 | 1.00 | ROCK1 (0.48) | ROCK1CITNUDT1NEK1CCNK | |
| SCHEMBL99688 | 0.90 | NUDT1 (0.49) | ROCK1CITNUDT1NEK1CCNK | |
| SCHEMBL18602197 | 0.77 | NUDT1 (0.52) | ROCK1CITNUDT1CCNKCDK12 | |
| Trifluoroacetic Acid SCHEMBL29540593 | 0.76 | ROCK1 (0.58) | ROCK1CITNUDT1CCNKCDK12 | |
| Trifluoroacetic Acid SCHEMBL99512 | 0.76 | ROCK1 (0.58) | ROCK1CITNUDT1CCNKCDK12 | |
| SCHEMBL29540606 | 0.73 | ROCK1 (0.52) | ROCK1CITNUDT1CCNKCDK12 | |
| SCHEMBL99400 | 0.73 | ROCK1 (0.52) | ROCK1CITNUDT1CCNKCDK12 | |
| SCHEMBL10124992 | 0.72 | NUDT1 (0.49) | ROCK1CITNUDT1NEK1CCNK | |
| SCHEMBL19062148 | 0.71 | NUDT1 (0.46) | ROCK1CITNUDT1CCNKCDK12 | |
| SCHEMBL12257978 | 0.68 | NUDT1 (0.56) | ROCK1CITNUDT1CCNKCDK12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966202-A1 | HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS | Incyte Corporation (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070514-A1 | HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2007-06-21 | — | — | WO | disclosed |