Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.51 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30379929 | 1.00 | AURKA (0.51) | AURKASYKKCNQ3KCNQ2KCNE1 | |
| SCHEMBL21596356 | 0.90 | AURKA (0.51) | AURKASYKCSNK1A1CLK4PIN1 | |
| SCHEMBL30379219 | 0.88 | AURKA (0.50) | AURKASYKCSNK1A1CLK4EGFR | |
| SCHEMBL21596371 | 0.88 | AURKA (0.50) | AURKASYKCSNK1A1CLK4EGFR | |
| SCHEMBL21596343 | 0.83 | AURKA (0.72) | AURKASYKCSNK1A1CLK4PIN1 | |
| SCHEMBL30379364 | 0.83 | AURKA (0.72) | AURKASYKCSNK1A1CLK4PIN1 | |
| SCHEMBL18044981 | 0.83 | LRRK2 (0.49) | AURKASYKKCNQ3KCNQ2KCNE1 | |
| SCHEMBL21600855 | 0.82 | KDM4E (0.57) | SYKNPC1POLBMEN1KMT2A | |
| SCHEMBL30379431 | 0.80 | PIN1 (0.55) | AURKASYKCSNK1A1CLK4PIN1 | |
| SCHEMBL21596304 | 0.80 | PIN1 (0.55) | AURKASYKCSNK1A1CLK4PIN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |