Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | WNT1 | P04628 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL905364 | 0.79 | TACR1 (0.57) | CYP1A2CYP2C19ALOX15CYP3A4CYP2D6 | |
| SCHEMBL905358 | 0.76 | HTR3A (0.49) | CYP1A2CYP2C19ALOX15HTR3AL3MBTL1 | |
| SCHEMBL6862194 | 0.76 | RAB9A (0.45) | HTR3AL3MBTL1PPARGWNT1DYRK1A | |
| SCHEMBL14575924 | 0.75 | TACR1 (0.44) | CYP1A2HTR3AL3MBTL1RAB9ATACR1 | |
| SCHEMBL6862358 | 0.74 | TACR1 (0.72) | TACR1 | |
| SCHEMBL905369 | 0.73 | L3MBTL1 (0.45) | HTR3AL3MBTL1PPARGWNT1DYRK1A | |
| SCHEMBL5757955 | 0.72 | SMO (0.42) | TACR1 | |
| SCHEMBL14558281 | 0.72 | WNT1 (0.49) | CYP1A2CYP2C19ALOX15HTR3AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL5343724 | 0.71 | WNT1 (0.48) | CYP1A2CYP2C19ALOX15HTR3AL3MBTL1 | |
| SCHEMBL27567270 | 0.71 | PAK1 (0.43) | PAK1ALDH1A1 |
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 6 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 | disclosed |
| CN-1134417-C | 3-phenylpyridine derivatives and their use as NK-1 receptor antagonists | — | 2004-01-14 | — | — | CN | disclosed |
| CN-1341100-A | 3-phenylpyridine derivatives and their use as nk-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2002-03-20 | — | — | CN | 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 |