Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | GRM8 | O00222 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9518117 | 0.79 | HRH3 (0.40) | KDM4EHSD17B10CYP3A4CYP19A1CYP17A1 | |
| SCHEMBL5355663 | 0.79 | KDM4E (0.42) | KDM4EHSD17B10CYP3A4CYP2C19TAAR1 | |
| SCHEMBL31379019 | 0.78 | KDM4E (0.56) | KDM4ECYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL28253375 | 0.78 | KDM4E (0.56) | KDM4ECYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL1122682 | 0.78 | KDM4E (0.56) | KDM4ECYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL31378998 | 0.77 | CYP1A2 (0.39) | CYP2C19CYP1A2 | |
| SCHEMBL23258021 | 0.75 | CYP19A1 (0.41) | KDM4EHSD17B10CYP3A4CYP19A1GRM8 | |
| SCHEMBL31378980 | 0.75 | ALDH1A1 (0.40) | KDM4ETAAR1HIF1ACYP2C9TDP1 | |
| SCHEMBL8688362 | 0.75 | CYP3A4 (0.39) | CYP3A4CYP19A1CYP17A1SLC6A2SLC6A4 | |
| SCHEMBL31379012 | 0.75 | ALDH1A1 (0.40) | KDM4ETAAR1HIF1ACYP2C9TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700383-B1 | NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS | SYNTEX INC (US) | 1998-09-23 | — | — | EP | disclosed |
| US-5763458-A | NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS | SYNTEX (U.S.A.) INC. (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1994027965-A1 | NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1994-12-08 | — | — | WO | disclosed |