Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18952453 | 0.83 | CYP2C19 (0.37) | CYP2C19ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL7167658 | 0.80 | ALDH1A1 (0.37) | CYP2C19ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL6908343 | 0.74 | PPM1B (0.39) | CYP2C19ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL8926505 | 0.73 | NFKB1 (0.40) | CYP2C19ALDH1A1 | |
| SCHEMBL5515262 | 0.69 | CYP2C19 (0.35) | CYP2C19ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL11526393 | 0.68 | ALDH1A1 (0.38) | CYP2C19ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL6965861 | 0.68 | — | — | |
| SCHEMBL9977742 | 0.67 | ALDH1A1 (0.37) | ALDH1A1POLB | |
| SCHEMBL2918081 | 0.67 | ALDH1A1 (0.37) | ALDH1A1POLB | |
| SCHEMBL265471 | 0.67 | ALDH1A1 (0.37) | ALDH1A1POLB |
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-2012083121-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |