Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 12/20 | 0.57 |
| ▸ | TACR2 | P21452 | 11/20 | 0.57 |
| ▸ | TACR1 | P25103 | 10/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090339 | 0.87 | TACR1 (0.55) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL24855513 | 0.85 | TACR2 (0.79) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL7307760 | 0.85 | TACR2 (0.79) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL31224303 | 0.85 | TACR2 (0.79) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL8970867 | 0.84 | TACR2 (0.53) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8593237 | 0.84 | TACR2 (0.78) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL7091955 | 0.84 | TACR1 (0.58) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL8973884 | 0.83 | TACR2 (0.57) | TACR3TACR2TACR1 | |
| SCHEMBL7088845 | 0.82 | TACR2 (0.49) | TACR3TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL8969406 | 0.81 | TACR3 (0.51) | TACR3TACR2TACR1 |
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 |