Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8314434 | 0.88 | CCR5 (0.48) | CCR5TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8636368 | 0.87 | CCR5 (0.47) | CCR5TACR1TACR2 | |
| SCHEMBL9117577 | 0.87 | CCR5 (0.39) | CCR5TACR1TACR2 | |
| SCHEMBL8561473 | 0.82 | TACR1 (0.42) | CCR5TACR1 | |
| Hydrochloric Acid SCHEMBL8953818 | 0.80 | CCR5 (0.37) | CCR5TACR1TACR2 | |
| SCHEMBL8565799 | 0.80 | TACR1 (0.40) | CCR5TACR1 | |
| SCHEMBL8315849 | 0.74 | TACR1 (0.43) | CCR5TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8067085 | 0.74 | TACR1 (0.48) | CCR5TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8953619 | 0.74 | TACR1 (0.42) | CCR5TACR1TACR2 | |
| SCHEMBL8969597 | 0.72 | TACR2 (0.53) | TACR1TACR2 |
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-0700386-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1996-03-13 | — | — | EP | disclosed |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | disclosed |