Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6822783 | 0.77 | PARP1 (0.41) | PARP1ALDH1A1HPGDKDM4EPOLB | |
| SCHEMBL13467859 | 0.69 | CHEK1 (0.61) | PARP1KDM4EGAACHEK1FYN | |
| SCHEMBL13203324 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL13377445 | 0.67 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL30273087 | 0.67 | PARP1 (0.53) | PARP1ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL6918951 | 0.66 | TNKS2 (0.39) | PARP1ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL25970110 | 0.64 | PTPN2 (0.39) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL17921252 | 0.64 | POLB (0.41) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL21405585 | 0.64 | PARP1 (0.50) | PARP1ALDH1A1GAACHEK1FYN | |
| SCHEMBL18787371 | 0.64 | KDM4E (0.38) | PARP1ALDH1A1HPGDKDM4EGLA |
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-1395585-A1 | ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002096908-A1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2002-12-05 | — | — | WO | disclosed |