Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6885790 | 0.81 | TACR1 (0.66) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL5966342 | 0.79 | TACR1 (0.62) | TACR1GPBAR1 | |
| SCHEMBL5758946 | 0.77 | TACR1 (0.48) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL1399432 | 0.75 | TACR1 (0.70) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL4727287 | 0.73 | TACR1 (0.48) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL14349117 | 0.70 | TACR1 (0.52) | TACR1 | |
| SCHEMBL23361960 | 0.70 | GPBAR1 (0.58) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL30980992 | 0.70 | GPBAR1 (0.58) | TACR1GPBAR1CYP3A4 | |
| SCHEMBL1399470 | 0.70 | TACR1 (0.54) | TACR1GPBAR1 | |
| SCHEMBL6866855 | 0.69 | TACR1 (0.55) | TACR1GPBAR1 |
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-1305319-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002008232-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-31 | — | — | WO | disclosed |