Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.40 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 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 | |
|---|---|---|---|---|
| SCHEMBL5763724 | 0.90 | TACR1 (0.61) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL7086321 | 0.88 | TACR1 (0.74) | TACR1CYP3A4GPBAR1SGMS1SGMS2 | |
| SCHEMBL5761333 | 0.81 | TACR1 (0.56) | TACR1CYP3A4 | |
| SCHEMBL3880526 | 0.77 | TACR1 (0.61) | TACR1GPBAR1 | |
| SCHEMBL6525284 | 0.76 | TACR1 (0.81) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL905366 | 0.76 | TACR1 (0.73) | TACR1CYP3A4GPBAR1SGMS1SGMS2 | |
| SCHEMBL5779738 | 0.75 | TACR1 (0.59) | TACR1GPBAR1 | |
| SCHEMBL905394 | 0.75 | TACR1 (0.79) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL5760285 | 0.75 | SMO (0.46) | TACR1CYP3A4SMO | |
| SCHEMBL905343 | 0.74 | TACR1 (0.78) | TACR1CYP3A4GPBAR1 |
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 | claimed |