Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748160 | 1.00 | TACR1 (0.87) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20616635 | 1.00 | TACR1 (0.87) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19031858 | 1.00 | TACR1 (0.87) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4100443 | 0.94 | TACR1 (0.85) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4100441 | 0.94 | TACR1 (0.85) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24403434 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4102176 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5005159 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5006366 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4102172 | 0.93 | TACR1 (1.00) | TACR1CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1705176-A1 | CARBOXAMIDE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2006-09-27 | — | — | EP | disclosed |