Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7361474 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7334588 | 0.98 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL10164290 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL12522013 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7180435 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL13267550 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL22750969 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL10202776 | 0.75 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL13915825 | 0.75 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL18715769 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 |
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-1994019332-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-09-01 | — | — | WO | disclosed |