Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312245 | 0.90 | HPGD (0.36) | CDK1CNR1NR1I2F2ADORA3 | |
| SCHEMBL6325719 | 0.86 | CNR1 (0.47) | CDK1CNR1EGFRKDRPDE5A | |
| SCHEMBL8311630 | 0.85 | CDK1 (0.42) | CDK1CNR1EGFRPDE5AALDH1A1 | |
| SCHEMBL8309844 | 0.84 | CDK1 (0.34) | CDK1CNR1EGFRKDRPDE5A | |
| SCHEMBL8312247 | 0.83 | CDK1 (0.39) | CDK1CNR1EGFRPDE5AALDH1A1 | |
| SCHEMBL6326778 | 0.82 | CDK1 (0.41) | CDK1CNR1PDE5AALDH1A1HPGD | |
| SCHEMBL8308730 | 0.81 | PDE5A (0.36) | CDK1EGFRPDE5AALDH1A1HPGD | |
| SCHEMBL2995398 | 0.81 | CDK1 (0.42) | CDK1CNR1PDE5AALDH1A1HPGD | |
| SCHEMBL8312292 | 0.77 | CDK1 (0.36) | CDK1EGFRPDE5AALDH1A1HPGD | |
| SCHEMBL6326818 | 0.77 | CDK1 (0.47) | CDK1CNR1PDE5AALDH1A1MEN1 |
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 |