Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6882249 | 0.88 | MAPK1 (0.48) | TACR1L3MBTL1KMT2AMAPK1TYK2 | |
| SCHEMBL6870086 | 0.83 | MYC (0.53) | TACR1L3MBTL1KMT2AGPBAR1KDM4C | |
| SCHEMBL29971293 | 0.82 | GAA (0.53) | L3MBTL1KMT2AMAPK1CYP3A4ALDH1A1 | |
| SCHEMBL21056662 | 0.82 | KDM4E (0.54) | TACR1L3MBTL1KMT2AGPBAR1ALDH1A1 | |
| SCHEMBL27821329 | 0.81 | SIRT3 (0.57) | TACR1GPBAR1MKNK1MKNK2 | |
| SCHEMBL30674829 | 0.79 | KDM4C (0.49) | L3MBTL1KMT2AMAPK1CYP1A2CYP3A4 | |
| SCHEMBL6868605 | 0.76 | TACR1 (0.67) | TACR1MAPK1GPBAR1 | |
| SCHEMBL30107188 | 0.75 | SIRT3 (0.61) | L3MBTL1MAPK1CYP1A2CYP3A4TYK2 | |
| SCHEMBL13162016 | 0.75 | SIRT3 (0.61) | L3MBTL1MAPK1CYP1A2CYP3A4TYK2 | |
| SCHEMBL30070596 | 0.75 | HTT (0.62) | KMT2AMAPK1CYP1A2CYP3A4ALDH1A1 |
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 4 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 |
| 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 |