Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8149215 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2A6CYP1A1ABL1SLC6A4 | |
| SCHEMBL8149492 | 0.80 | — | — | |
| SCHEMBL811004 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2A6CYP1A1ABL1SLC6A4 | |
| SCHEMBL8140915 | 0.78 | CYP2A6 (0.39) | CYP1A2CYP2A6 | |
| SCHEMBL8149801 | 0.78 | ACHE (0.35) | CYP1A2CYP2A6CYP1A1 | |
| SCHEMBL2741041 | 0.78 | ACHE (0.35) | CYP1A2CYP2A6 | |
| SCHEMBL29953614 | 0.78 | ACHE (0.35) | CYP1A2CYP2A6CYP1A1 | |
| SCHEMBL8147369 | 0.78 | CYP2A6 (0.42) | CYP2A6BACE1 | |
| SCHEMBL8150148 | 0.78 | CYP2A6 (0.42) | CYP2A6BACE1 | |
| SCHEMBL8154003 | 0.78 | CYP2A6 (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 |