Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.52 |
| ▸ | TACR3 | P29371 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.50 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8239455 | 1.00 | TACR1 (0.52) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL10182983 | 1.00 | TACR1 (0.52) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL8251136 | 0.90 | TACR1 (0.51) | TACR1TACR3CYP3A4 | |
| SCHEMBL10181750 | 0.89 | TACR1 (0.51) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL337288 | 0.87 | TACR1 (0.68) | TACR1TACR3CYP3A4 | |
| SCHEMBL10182959 | 0.87 | TACR1 (0.68) | TACR1TACR3CYP3A4 | |
| SCHEMBL12583015 | 0.86 | TACR1 (0.51) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL337076 | 0.85 | TACR1 (0.58) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL337573 | 0.85 | TACR1 (0.58) | TACR1TACR3CYP3A4GPBAR1 | |
| SCHEMBL12582965 | 0.85 | TACR1 (0.58) | TACR1TACR3CYP3A4GPBAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007028654-A1 | PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-15 | — | — | WO | disclosed |