Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.80 |
| ▸ | GPBAR1 | Q8TDU6 | 13/20 | 0.62 |
| ▸ | TACR3 | P29371 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6871057 | 0.99 | TACR1 (0.79) | TACR1GPBAR1TACR3 | |
| SCHEMBL6866148 | 0.89 | TACR1 (0.80) | TACR1GPBAR1TACR3 | |
| SCHEMBL6869637 | 0.89 | TACR1 (1.00) | TACR1GPBAR1 | |
| Hydrochloric Acid SCHEMBL6868501 | 0.88 | TACR1 (0.98) | TACR1GPBAR1 | |
| SCHEMBL6862684 | 0.88 | TACR1 (0.79) | TACR1GPBAR1TACR3 | |
| Hydrochloric Acid SCHEMBL6868998 | 0.87 | TACR1 (0.77) | TACR1GPBAR1TACR3 | |
| SCHEMBL6870864 | 0.86 | TACR1 (0.76) | TACR1GPBAR1TACR3 | |
| SCHEMBL6870653 | 0.86 | TACR1 (0.76) | TACR1GPBAR1TACR3 | |
| Hydrochloric Acid SCHEMBL6862620 | 0.85 | TACR1 (0.74) | TACR1GPBAR1TACR3 | |
| Hydrochloric Acid SCHEMBL6872497 | 0.85 | TACR1 (0.74) | TACR1GPBAR1TACR3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1157005-B1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2004-10-20 | — | — | EP | claimed |
| EP-1157005-A1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | claimed |
| US-6225316-B1 | GOOD AFFINITY TO THE NK-1 RECEPTOR. | HOFFMANN-LA ROCHE INC. | 2001-05-01 | — | — | US | claimed |
| WO-2000050401-A1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | WO | claimed |
| EP-1157005-B1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2004-10-20 | — | — | EP | disclosed |
| EP-1157005-A1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | disclosed |
| US-6225316-B1 | GOOD AFFINITY TO THE NK-1 RECEPTOR. | HOFFMANN-LA ROCHE INC. | 2001-05-01 | — | — | US | disclosed |
| WO-2000050401-A1 | 3-PHENYLPYRIDINE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | WO | disclosed |