Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.44 |
| ▸ | SGMS2 | Q8NHU3 | 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 | |
|---|---|---|---|---|
| SCHEMBL905381 | 0.90 | TACR1 (0.75) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL6525284 | 0.88 | TACR1 (0.81) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL7086321 | 0.87 | TACR1 (0.74) | TACR1CYP3A4GPBAR1SGMS1SGMS2 | |
| SCHEMBL905394 | 0.86 | TACR1 (0.79) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL4675798 | 0.85 | TACR1 (0.54) | TACR1GPBAR1 | |
| SCHEMBL21235997 | 0.85 | TACR1 (0.86) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL905355 | 0.85 | TACR1 (0.77) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL5760200 | 0.85 | TACR1 (0.77) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL5760198 | 0.85 | TACR1 (0.77) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL29467378 | 0.84 | TACR1 (1.00) | 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-1394150-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | claimed |
| EP-1385577-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |