Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8154003 | 1.00 | CYP2A6 (0.42) | CYP2A6CYP3A4POLBF11ALDH1A1 | |
| SCHEMBL8147651 | 0.80 | — | — | |
| SCHEMBL811099 | 0.80 | CYP2A6 (0.56) | CYP2A6CYP3A4POLBF11ALDH1A1 | |
| SCHEMBL8140915 | 0.78 | CYP2A6 (0.39) | CYP2A6ALDH1A1 | |
| SCHEMBL8148963 | 0.78 | CYP3A4 (0.41) | CYP2A6CYP3A4POLB | |
| SCHEMBL8148931 | 0.78 | CYP3A4 (0.46) | CYP2A6CYP3A4POLBALDH1A1 | |
| SCHEMBL29953445 | 0.78 | CYP3A4 (0.46) | CYP2A6CYP3A4POLBALDH1A1 | |
| SCHEMBL8155348 | 0.78 | CYP1A2 (0.42) | CYP2A6 | |
| SCHEMBL8147369 | 0.78 | CYP2A6 (0.42) | CYP2A6ALDH1A1 | |
| SCHEMBL8149215 | 0.78 | CYP1A2 (0.42) | CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |