Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.49 |
| ▸ | TACR1 | P25103 | 9/20 | 0.49 |
| ▸ | CCR2 | P41597 | 8/20 | 0.41 |
| ▸ | PLD2 | O14939 | 2/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13994792 | 0.96 | TACR3 (0.51) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL632023 | 0.96 | TACR3 (0.49) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL631093 | 0.94 | TACR3 (0.52) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL8184785 | 0.94 | TACR3 (0.48) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL5002936 | 0.93 | TACR3 (0.49) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL631385 | 0.92 | CCR2 (0.49) | TACR3TACR1CCR2 | |
| SCHEMBL632085 | 0.91 | TACR3 (0.53) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL5002835 | 0.91 | TACR3 (0.46) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL632275 | 0.91 | TACR3 (0.48) | TACR3TACR1CCR2PLD2PLD1 | |
| SCHEMBL633754 | 0.91 | TACR3 (0.46) | TACR3TACR1CCR2 |
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-2008081012-A1 | SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-10 | — | — | WO | disclosed |