Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.47 |
| ▸ | TACR3 | P29371 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5758229 | 0.90 | TACR1 (0.68) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL1870300 | 0.86 | GPBAR1 (0.61) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL5780641 | 0.81 | TACR1 (0.70) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL1869259 | 0.80 | GPBAR1 (0.71) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL5783724 | 0.79 | TACR1 (0.67) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL27664146 | 0.78 | GPBAR1 (0.59) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL5758941 | 0.78 | GPBAR1 (0.76) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL1871779 | 0.77 | TACR1 (0.75) | TACR1CYP3A4TACR3 | |
| SCHEMBL1871776 | 0.77 | TACR1 (0.75) | TACR1CYP3A4TACR3 | |
| SCHEMBL5781648 | 0.77 | TACR1 (0.66) | TACR1CYP3A4GPBAR1TACR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1305319-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-04-05 | — | — | EP | disclosed |