Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 7/20 | 0.55 |
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.53 |
| ▸ | THRA | P10827 | 2/20 | 0.52 |
| ▸ | VDR | P11473 | 1/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3871890 | 0.87 | THRB (0.60) | THRBTHRAVDR | |
| SCHEMBL3871895 | 0.87 | THRB (0.60) | THRBTHRAVDR | |
| SCHEMBL28651590 | 0.85 | NAMPT (0.47) | THRBGPR119NAMPTMAPTKDM4E | |
| SCHEMBL3602008 | 0.82 | ALDH1A1 (0.56) | THRBGPR119THRAMAPTALDH1A1 | |
| SCHEMBL28432451 | 0.82 | PDE4B (0.58) | THRBGPR119NAMPTMAPTKDM4E | |
| SCHEMBL30124854 | 0.81 | ALDH1A1 (0.64) | THRBGPR119THRAVDRMAPT | |
| SCHEMBL4519083 | 0.81 | GPR119 (0.76) | GPR119NAMPT | |
| SCHEMBL2112595 | 0.80 | GPR119 (0.54) | THRBGPR119NAMPTMAPTKDM4E | |
| SCHEMBL4736392 | 0.79 | MAPT (0.65) | THRBGPR119NAMPTMAPTKDM4E | |
| SCHEMBL24582246 | 0.78 | MAPT (0.46) | THRBGPR119NAMPTMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009115393-A1 | PROCESS FOR THE PREPARATION OF N-(1-PHENYLETHYL)ANILINES, SALTS, AND SOLVATES THEREOF USEFUL AS SEROTONIN 5-HT6 ANTAGONISTS | LABORATORIOS DEL DR. ESTEVE, S. A. (ES) | 2009-09-24 | — | — | WO | disclosed |
| EP-2103596-A1 | Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-23 | — | — | EP | disclosed |