Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | SERPINA3 | P01011 | 1/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | HPRT1 | P00492 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12714851 | 0.93 | CYP2C19 (0.39) | CYP2C19HDAC1CDK1CCNB1CCNE1 | |
| SCHEMBL13747884 | 0.92 | CYP2C19 (0.39) | CYP2C19HSP90AA1HSP90AB1HDAC1CDK1 | |
| SCHEMBL13747331 | 0.92 | HSP90AB1 (0.41) | CYP2C19HSP90AA1HSP90AB1CDK1CCNB1 | |
| SCHEMBL12714506 | 0.89 | POLB (0.40) | CYP2C19HDAC1CDK1CCNB1CCNE1 | |
| SCHEMBL13747563 | 0.88 | SERPINA3 (0.42) | CYP2C19HSP90AA1HSP90AB1CDK1CCNB1 | |
| SCHEMBL13747659 | 0.87 | POLB (0.39) | CYP2C19HDAC1CDK1CCNB1CCNE1 | |
| SCHEMBL13746845 | 0.87 | CYP2C19 (0.39) | CYP2C19HDAC1CDK1CCNB1CCNE1 | |
| SCHEMBL2606919 | 0.87 | POLB (0.43) | CYP2C19HSP90AA1HSP90AB1HDAC1CDK1 | |
| SCHEMBL13746666 | 0.85 | CYP2C19 (0.40) | CYP2C19HSP90AA1HSP90AB1HDAC1CDK1 | |
| SCHEMBL13746593 | 0.85 | SERPINA3 (0.45) | CYP2C19HSP90AA1HSP90AB1HDAC1TLR7 |
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-2009105513-A2 | NOVEL COMPOUNDS AND METHODS FOR THERAPY | GILEAD SCIENCES, INC. (US) | 2009-08-27 | — | — | WO | disclosed |