Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 10/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8953619 | 0.99 | TACR1 (0.42) | TACR1CCR5TACR2 | |
| SCHEMBL8316040 | 0.87 | TACR1 (0.40) | TACR1CCR5TACR2 | |
| SCHEMBL8314434 | 0.87 | CCR5 (0.48) | TACR1CCR5TACR2 | |
| Hydrochloric Acid SCHEMBL8953696 | 0.86 | TACR1 (0.39) | TACR1CCR5TACR2 | |
| Hydrochloric Acid SCHEMBL8636368 | 0.86 | CCR5 (0.47) | TACR1CCR5TACR2 | |
| SCHEMBL8119238 | 0.84 | CCR5 (0.42) | TACR1CCR5TACR2 | |
| SCHEMBL8364651 | 0.84 | CCR5 (0.46) | TACR1CCR5TACR2 | |
| Iodide SCHEMBL8125149 | 0.84 | CCR5 (0.42) | TACR1CCR5TACR2 | |
| SCHEMBL8126875 | 0.80 | CCR5 (0.42) | TACR1CCR5TACR2 | |
| SCHEMBL9679089 | 0.79 | TACR2 (0.53) | TACR1CCR5TACR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0591040-B1 | Quaternary basic amides as tachykinines antagonists | SANOFI SA (FR) | 1999-02-03 | — | — | EP | disclosed |
| EP-0591040-A1 | Quaternary basic amides as tachykinines antagonists | SANOFI (FR) | 1994-04-06 | — | — | EP | disclosed |