Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 14/20 | 0.49 |
| ▸ | TACR1 | P25103 | 12/20 | 0.49 |
| ▸ | TACR3 | P29371 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL8559807 | 0.88 | TACR2 (0.51) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6951866 | 0.85 | TACR2 (0.62) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088993 | 0.83 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL5677576 | 0.83 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7090339 | 0.81 | TACR1 (0.55) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8349879 | 0.81 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8559596 | 0.81 | TACR2 (0.46) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7751540 | 0.81 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088845 | 0.80 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7091955 | 0.80 | TACR1 (0.58) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726313-A | Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1998-03-10 | — | — | US | disclosed |
| 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 |