Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | VDR | P11473 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16262649 | 0.82 | HDAC1 (0.49) | QDPRHDAC3HDAC1HDAC2CA12 | |
| SCHEMBL3871895 | 0.81 | THRB (0.60) | THRAVDRTHRB | |
| SCHEMBL3871890 | 0.81 | THRB (0.60) | THRAVDRTHRB | |
| SCHEMBL23122328 | 0.79 | QDPR (0.56) | QDPRHDAC3HDAC1HDAC2CA12 | |
| SCHEMBL12478958 | 0.78 | QDPR (0.48) | QDPRHDAC3HDAC1HDAC2HRH3 | |
| SCHEMBL3817499 | 0.78 | QDPR (0.44) | QDPRHDAC3HDAC1HDAC2 | |
| SCHEMBL14624308 | 0.77 | GPR119 (0.51) | QDPRTHRAVDRTHRBCA12 | |
| SCHEMBL23122840 | 0.76 | QDPR (0.56) | QDPRHDAC3HDAC1HDAC2CA12 | |
| SCHEMBL16318326 | 0.76 | QDPR (0.43) | QDPRHDAC3HDAC1HDAC2CA12 | |
| SCHEMBL12479689 | 0.76 | QDPR (0.46) | QDPRHDAC3HDAC1HDAC2SIGMAR1 |
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 |