Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6257518 | 0.91 | TACR1 (0.54) | TACR1CYP3A4CYP2D6CYP2C9CCR1 | |
| SCHEMBL6261062 | 0.89 | TACR1 (0.51) | TACR1CYP3A4CYP2D6CYP2C9CCR1 | |
| SCHEMBL5398565 | 0.88 | TACR1 (0.52) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6264741 | 0.85 | TACR1 (0.67) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6264225 | 0.85 | TACR1 (0.51) | TACR1CYP3A4CYP2D6CYP2C9CCR1 | |
| SCHEMBL6259747 | 0.83 | TACR1 (0.45) | TACR1CCR1 | |
| SCHEMBL6262695 | 0.81 | TACR1 (0.47) | TACR1CCR1 | |
| SCHEMBL6261488 | 0.79 | TACR1 (0.61) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5389958 | 0.79 | TACR1 (0.52) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5391800 | 0.78 | TACR1 (0.41) | TACR1 |
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-1423117-B1 | 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS | GLAXO GROUP LTD (GB) | 2005-10-19 | — | — | EP | disclosed |