Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 16/20 | 0.60 |
| ▸ | THRA | P10827 | 5/20 | 0.60 |
| ▸ | VDR | P11473 | 1/20 | 0.60 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | 1.00 | THRB (0.60) | THRBTHRAVDRVCAM1POLB | |
| SCHEMBL3869166 | 0.87 | THRB (0.55) | THRBTHRAVDR | |
| SCHEMBL3878583 | 0.81 | QDPR (0.44) | THRBTHRAVDR | |
| SCHEMBL4184466 | 0.78 | THRB (0.57) | THRBTHRAVDR | |
| SCHEMBL22095447 | 0.78 | THRB (0.59) | THRBTHRAVDRVCAM1 | |
| SCHEMBL14624308 | 0.77 | GPR119 (0.51) | THRBTHRAVDR | |
| SCHEMBL853823 | 0.74 | SLC18A3 (0.58) | — | |
| SCHEMBL4440176 | 0.71 | HCAR3 (0.54) | POLB | |
| SCHEMBL4440170 | 0.71 | HCAR3 (0.54) | POLB | |
| SCHEMBL3530451 | 0.70 | VCAM1 (0.71) | THRBTHRAVCAM1POLB |
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 |