Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 4/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312247 | 0.92 | CDK1 (0.39) | CDK1AURKARPS6KB1AURKBPDE5A | |
| SCHEMBL2991625 | 0.86 | F10 (0.41) | CDK1AURKARPS6KB1AURKBPDE5A | |
| SCHEMBL8308730 | 0.85 | PDE5A (0.36) | CDK1AURKARPS6KB1AURKBPDE5A | |
| SCHEMBL8309844 | 0.85 | CDK1 (0.34) | CDK1AURKARPS6KB1AURKBPDE5A | |
| SCHEMBL6327115 | 0.84 | CDK1 (0.37) | CDK1AURKAAURKBPDE5AALDH1A1 | |
| SCHEMBL3000544 | 0.82 | CDK1 (0.40) | CDK1PDE5AALDH1A1HPGDHTT | |
| SCHEMBL8311630 | 0.81 | CDK1 (0.42) | CDK1AURKARPS6KB1AURKBPDE5A | |
| SCHEMBL6326778 | 0.79 | CDK1 (0.41) | CDK1AURKARPS6KB1AURKBPDE5A | |
| Hydrochloric Acid SCHEMBL6325713 | 0.77 | PDE5A (0.38) | CDK1PDE5AALDH1A1HPGDHTT | |
| SCHEMBL6329307 | 0.77 | HPGD (0.40) | CDK1AURKARPS6KB1AURKBPDE5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004080970-A1 | NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-23 | — | — | WO | disclosed |